SCHEMBL7445918

SCHEMBL7445918

CN(C)C(=O)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.86
KMT2A Q03164 4/20 0.86
SMN1; SMN2 Q16637 3/20 0.86
ALDH1A1 P00352 1/20 0.57
KEAP1 Q14145 1/20 0.51
BCAT2 O15382 1/20 0.48
TACR1 P25103 2/20 0.48
HNF4A P41235 1/20 0.46
ATR Q13535 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
Hydrogen Sulfide SCHEMBL28029146 0.98 MEN1 (0.83) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL30463435 0.92 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL6677412 0.92 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL20578422 0.91 MEN1 (0.96) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL7856359 0.85 MEN1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL7855886 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL7407290 0.82 KMT2A (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL8569633 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL3760398 0.82 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL8573571 0.80 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1

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