SCHEMBL8570513

SCHEMBL8570513

COc1cccc(C(=O)N(C)C)c1-c1ccccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KEAP1 Q14145 1/20 0.56
FABP3 P05413 3/20 0.49
FABP5 Q01469 2/20 0.49
FABP4 P15090 1/20 0.49
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
HNF4A P41235 1/20 0.44
ALDH1A1 P00352 6/20 0.43

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
SCHEMBL14052868 0.90 FABP4 (0.56) MEN1KMT2ASMN1; SMN2KEAP1FABP3
SCHEMBL8567749 0.82 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2KEAP1L3MBTL1
SCHEMBL7855358 0.81 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1FABP3
SCHEMBL8569633 0.81 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1NPC1
SCHEMBL7454506 0.81 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1HTT
SCHEMBL14052509 0.81 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2KEAP1FABP3
SCHEMBL7445918 0.78 MEN1 (0.86) MEN1KMT2ASMN1; SMN2KEAP1FABP3
SCHEMBL6677412 0.78 MEN1 (1.00) MEN1KMT2ASMN1; SMN2KEAP1FABP3
SCHEMBL30463435 0.78 MEN1 (1.00) MEN1KMT2ASMN1; SMN2KEAP1FABP3
SCHEMBL2541558 0.78 CTSD (0.55) MEN1KMT2ASMN1; SMN2KEAP1NPC1

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed