SCHEMBL7445923

SCHEMBL7445923

CNC(=O)c1cccc(-c2ccccc2-c2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
PLK1 P53350 2/20 0.47
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
GAA P10253 2/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
HNF4A P41235 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL15472559 0.86 CHRNB2 (0.56) L3MBTL1PLK1CHRNB2CHRNA4CHRNB4
SCHEMBL27499893 0.83 HNF4A (0.59) L3MBTL1HNF4AALDH1A1KDM4ENPC1
SCHEMBL3223294 0.83 CHRNB2 (0.65) L3MBTL1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7856360 0.82 PDK2 (0.44) L3MBTL1PLK1CHRNB2CHRNA4CHRNB4
SCHEMBL7855360 0.82 PDK2 (0.44) L3MBTL1PLK1CHRNB2CHRNA4CHRNB4
SCHEMBL7454511 0.82 GAA (0.45) L3MBTL1PLK1CHRNB2CHRNA4CHRNB4
SCHEMBL7445914 0.81 MYC (0.53) L3MBTL1PLK1CHRNB2CHRNA4CHRNB4
SCHEMBL28085560 0.80 HNF4A (0.51) L3MBTL1PLK1CHRNB2CHRNA4CHRNB4
SCHEMBL29256186 0.80 HDAC7 (0.59) L3MBTL1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6307908 0.80 BCAT2 (0.65) L3MBTL1CHRNB2CHRNA4CHRNB4CHRNA3

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
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP claimed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP claimed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO claimed