SCHEMBL8560118

SCHEMBL8560118

COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cn1.[Na+]

nearest known ligand 0.53

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
F10 known ✓ P00742 1/20 0.46
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
AHR P35869 1/20 0.53
P4HTM Q9NXG6 1/20 0.50
HDAC1 Q13547 1/20 0.49
RORC P51449 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NNMT P40261 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK8 P45983 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL8554348 0.87 TSHR (0.61) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL8564208 0.87 CHEK1 (0.61) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL8560123 0.86 CHEK1 (0.60) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL5584774 0.85 MEN1 (0.53) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL5584406 0.82 PKM (0.52) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL5584408 0.82 MEN1 (0.50) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL8908002 0.79 F10 (0.48) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL8907998 0.79 F10 (0.48) MEN1KMT2AAHRP4HTMHDAC1
SCHEMBL703606 0.76 NNMT (0.66) MEN1KMT2AP4HTMNPC1RAB9A
SCHEMBL8557467 0.75 LMNA (0.53) MEN1KMT2ANNMTPOLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756524-A APPLYING TO COMBAT CYTOPATHOGENIC FUNGI AGREVO UK LIMITED (GB) 1998-05-26 US disclosed
EP-0750611-A1 ANILIDE DERIVATIVES AS FUNGICIDES AgrEvo UK Limited (GB) 1997-01-02 EP disclosed
WO-1995025723-A1 ANILIDE DERIVATIVES AS FUNGICIDES AGREVO UK LIMITED (GB) 1995-09-28 WO disclosed