SCHEMBL2372802

SCHEMBL2372802

COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1.O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1.[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3224213 0.94
SCHEMBL116869 0.85 NPC1 (0.31)
SCHEMBL3264390 0.80
SCHEMBL7643173 0.79 CDK1 (0.37)
Foramsulfuron SCHEMBL3230132 0.79 CDK1 (0.49)
SCHEMBL2372927 0.79
SCHEMBL3700543 0.78
SCHEMBL3260847 0.76
Dichlormid SCHEMBL2373554 0.75 GAA (0.31)
Benoxacor SCHEMBL2372876 0.74 ALDH1A1 (0.33)

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-3055305-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-08-17 EP 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-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-2550280-A1 PYRIDOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550276-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550271-A1 SUBSTITUTED PYRIDINES 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
WO-2011117211-A1 SUBSTITUTED PYRIDAZINES 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-2011117195-A1 SUBSTITUTED PYRIDINES 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-2011117152-A1 PYRIDOTHIAZINES 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