SCHEMBL7452209

SCHEMBL7452209

Cc1c(F)c(F)c(C(=O)N(C)c2ccccc2-c2ccccc2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPBAR1 Q8TDU6 8/20 0.41
ALDH1A1 P00352 1/20 0.38
DHODH Q02127 1/20 0.36
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 2/20 0.36

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
SCHEMBL8574194 0.82 TACR1 (0.43) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL8572450 0.78 TACR1 (0.44) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL8572769 0.76 TACR1 (0.45) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL8572561 0.76 TACR1 (0.45) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL5883327 0.74 TACR1 (0.54) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL8571115 0.74 PDE4D (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8569426 0.73 TACR1 (0.42) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL8572527 0.73 TACR1 (0.48) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
Hydrochloric Acid SCHEMBL5883686 0.73 TACR1 (0.52) TACR1MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL8568184 0.72 TACR1 (0.59) TACR1GPBAR1

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