SCHEMBL7450697

SCHEMBL7450697

CC(C)C(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LTB4R2 Q9NPC1 1/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.38
BCAT2 O15382 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
USP2 O75604 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37

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
SCHEMBL8684739 0.84 TACR1 (0.51) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8414552 0.82 KMT2A (0.46) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5883327 0.82 TACR1 (0.54) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5883686 0.80 TACR1 (0.52) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL31393815 0.79 TACR1 (0.51) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
Biphenyl SCHEMBL5496359 0.78 KMT2A (0.41) TACR1KMT2AMEN1SMN1; SMN2LTB4R2
SCHEMBL8567260 0.77 TACR1 (0.43) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL24011586 0.77 SIGMAR1 (0.45) ALDH1A1
SCHEMBL8720338 0.76 TACR1 (0.57) TACR1KMT2AMEN1SMN1; SMN2LTB4R2
SCHEMBL7451450 0.76 TACR1 (0.63) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1

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