SCHEMBL2373774

SCHEMBL2373774

COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1.O=C(O)COc1ccc(Cl)c2cccnc12.[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 3/20 0.34
PDE4B known ✓ Q07343 3/20 0.34
PDE4C known ✓ Q08493 3/20 0.34
PDE4D known ✓ Q08499 3/20 0.34
PKM P14618 1/20 0.39
KDM4E B2RXH2 4/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MCL1 Q07820 1/20 0.31
PPARD Q03181 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL116869 0.81 NPC1 (0.31)
SCHEMBL3263895 0.76
Flufenacet SCHEMBL6062286 0.76
SCHEMBL7643173 0.76 CDK1 (0.37) KDM4EGAAMAPT
SCHEMBL3700543 0.75
Iodosulfuron SCHEMBL7584950 0.74 KMT2A (0.34) PKMGAAALOX12TDP1MAPT
Iodosulfuron SCHEMBL7584927 0.73 KDM4E (0.31) KDM4EGAATDP1MAPTMEN1
Iodosulfuron SCHEMBL7583764 0.73 PPOX (0.43) PKM
Dichlormid SCHEMBL2373554 0.73 GAA (0.31) GAA
Iodosulfuron SCHEMBL7586812 0.73 KMT2A (0.44) KDM4EALOX12TDP1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630735-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES II BASF SE (DE) 2020-04-08 EP disclosed
EP-3630734-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-04-08 EP disclosed
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
WO-2018234371-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-12-27 WO disclosed
WO-2018219936-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES II BASF SE (DE) 2018-12-06 WO disclosed
WO-2018219935-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-12-06 WO disclosed
EP-3055297-A1 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-08-17 EP disclosed
EP-3055305-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-08-17 EP disclosed
EP-3022190-A1 SUBSTITUTED N-(1,2,4-TRIAZOL-3-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-05-25 EP disclosed
EP-2997016-A1 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-03-23 EP disclosed
EP-2550271-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550280-A1 PYRIDOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550277-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550270-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
WO-2011117211-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117195-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117151-A1 PYRAZINOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117152-A1 PYRIDOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117210-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117273-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed