SCHEMBL7531775

SCHEMBL7531775

COc1cc(N(C(C)=O)c2ccc(C(CC(=O)O)NS(=O)(=O)c3cn(C)cn3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.44
ITGA4 P13612 9/20 0.44
LMNA P02545 1/20 0.38
ITGB3 P05106 5/20 0.37
ITGAV P06756 5/20 0.37
ITGB7 P26010 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5700916 0.84 ITGB1 (0.66) ITGB1ITGA4ITGB7KMT2A
SCHEMBL5700922 0.84 ITGB1 (0.66) ITGB1ITGA4ITGB7KMT2A
SCHEMBL7477585 0.83 ITGB3 (0.47) ITGB1ITGA4ITGB3ITGAVKMT2A
SCHEMBL5700984 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL5700989 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL5700996 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL5700993 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AMEN1
Water SCHEMBL7651150 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AMEN1
Water SCHEMBL7651153 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL7651701 0.79 ITGB1 (0.49) ITGB1ITGA4LMNAITGB7KMT2A

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