SCHEMBL7477585

SCHEMBL7477585

COc1cc(N(C(C)=O)c2ccc(C(CC(=O)O)NS(=O)(=O)c3cccnc3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGAV P06756 6/20 0.47
ITGB1 P05556 4/20 0.45
ITGA4 P13612 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
AHR P35869 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL7390822 0.85 ITGB1 (0.45) ITGB1ITGA4SMN1; SMN2MAPT
SCHEMBL7648050 0.85 ITGB1 (0.45) ITGB1ITGA4SMN1; SMN2MAPT
SCHEMBL5700977 0.84 ITGB1 (0.68) ITGB3ITGAVITGB1ITGA4KMT2A
SCHEMBL5700988 0.84 ITGB1 (0.68) ITGB3ITGAVITGB1ITGA4KMT2A
SCHEMBL7531775 0.83 ITGB1 (0.44) ITGB3ITGAVITGB1ITGA4KMT2A
SCHEMBL5700989 0.82 ITGB1 (0.51) ITGB1ITGA4MAPTKMT2A
SCHEMBL5700984 0.82 ITGB1 (0.51) ITGB1ITGA4MAPTKMT2A
Trifluoroacetic Acid SCHEMBL5701085 0.82 ITGB1 (0.42) ITGB1ITGA4SMN1; SMN2MAPT
SCHEMBL5700996 0.82 ITGB1 (0.51) ITGB1ITGA4MAPTKMT2A
SCHEMBL5700993 0.82 ITGB1 (0.51) ITGB1ITGA4MAPTKMT2A

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
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed