SCHEMBL7445914

SCHEMBL7445914

CNC(=O)c1cccc(C)c1-c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.53
ALDH1A1 P00352 4/20 0.49
FABP4 P15090 1/20 0.48
PDK2 Q15119 1/20 0.47
HNF4A P41235 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK1 P53350 2/20 0.45
BCAT2 O15382 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
FGFR4 P22455 2/20 0.44
FGFR3 P22607 2/20 0.44
CHEK1 O14757 1/20 0.44
MAP4K4 O95819 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL17461871 0.87 FABP4 (0.56) MYCALDH1A1FABP4PDK2PLK1
SCHEMBL28085560 0.84 HNF4A (0.51) ALDH1A1FABP4PDK2HNF4AL3MBTL1
SCHEMBL22256436 0.82 FGFR1 (0.57) MYCALDH1A1FABP4PDK2HNF4A
SCHEMBL7445923 0.81 L3MBTL1 (0.48) ALDH1A1HNF4AL3MBTL1PLK1BCAT2
SCHEMBL29434886 0.81 HNF4A (0.66) ALDH1A1PDK2HNF4AL3MBTL1PLK1
SCHEMBL22256427 0.81 FGFR1 (0.56) MYCALDH1A1FABP4PDK2HNF4A
SCHEMBL15472559 0.80 CHRNB2 (0.56) ALDH1A1L3MBTL1PLK1BCAT2CHRNB2
SCHEMBL3223294 0.80 CHRNB2 (0.65) ALDH1A1L3MBTL1BCAT2CHRNB2CHRNB4
SCHEMBL3701691 0.80 PLK1 (0.49) ALDH1A1PDK2HNF4AL3MBTL1PLK1
SCHEMBL28628791 0.76 PLAU (0.49) MYCFABP4HNF4ABCAT2FGFR1

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