SCHEMBL9754447

SCHEMBL9754447

O=Cc1c(S)cccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
FOLH1 Q04609 1/20 0.38
CASP1 P29466 2/20 0.37
PTGS2 P35354 1/20 0.37
HNF4A P41235 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK1 P28482 1/20 0.35
NAT1 P18440 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL954787 0.85 MEN1 (0.53) KMT2AMEN1RAB9AFOLH1CASP1
SCHEMBL28338084 0.78 MEN1 (0.46) KMT2AMEN1RAB9ACASP1PTGS2
SCHEMBL549020 0.78 KMT2A (0.48) KMT2AMEN1RAB9APTGS2HNF4A
SCHEMBL29390160 0.78 KMT2A (0.48) KMT2AMEN1RAB9APTGS2HNF4A
SCHEMBL30229858 0.77 ALDH1A1 (0.57) KMT2AMEN1RAB9AHNF4AALDH1A1
SCHEMBL1984909 0.76 ALDH1A1 (0.56) KMT2AMEN1RAB9AFOLH1PTGS2
SCHEMBL1547477 0.76 MEN1 (0.61) KMT2AMEN1RAB9APTGS2HNF4A
SCHEMBL309416 0.76 KDM4E (0.45) KMT2AMEN1RAB9APTGS2ALDH1A1
SCHEMBL30404870 0.76 KDM4E (0.45) KMT2AMEN1RAB9APTGS2ALDH1A1
SCHEMBL13054048 0.76 ALDH1A1 (0.56) KMT2AMEN1RAB9APTGS2HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed