SCHEMBL7387429

SCHEMBL7387429

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)c3cccnn3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.49
ITGB1 P05556 15/20 0.49
ITGB7 P26010 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 1/20 0.35
CHEK1 O14757 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
SCHEMBL7648845 0.90 ITGA4 (0.54) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7419416 0.89 ITGA4 (0.55) ITGA4ITGB1MEN1POLBMAPT
SCHEMBL7388976 0.88 ITGA4 (0.55) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7423673 0.88 ITGB1 (0.49) ITGA4ITGB1ITGB7
SCHEMBL7648745 0.88 ITGA4 (0.52) ITGA4ITGB1ITGB7
SCHEMBL7649631 0.87 ITGA4 (0.46) ITGA4ITGB1ITGB7MEN1POLB
SCHEMBL7421234 0.87 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7422723 0.87 ITGA4 (0.54) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7425519 0.87 ITGA4 (0.54) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7588650 0.86 ITGA4 (0.50) ITGA4ITGB1ITGB7CHEK1

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