SCHEMBL5701090

SCHEMBL5701090

COc1cc(CC(=O)Nc2ccc(C(CC(=O)OC(=O)C(F)(F)F)NC(=O)c3cccnc3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.55
ITGA4 P13612 13/20 0.55
ITGB7 P26010 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 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
SCHEMBL5700866 0.92 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700873 0.92 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5701088 0.91 ITGB1 (0.62) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7425997 0.90 ITGB1 (0.57) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700770 0.89 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700783 0.89 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7647341 0.86 ITGB1 (0.53) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700827 0.84 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700821 0.84 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700828 0.84 ITGB1 (0.63) ITGB1ITGA4ITGB7MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed