SCHEMBL7379944

SCHEMBL7379944

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)N(C)S(=O)(=O)c3cccnc3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.54
ITGA4 P13612 13/20 0.54
WNT3A P56704 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
CHEK1 O14757 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL7417458 0.90 ITGA4 (0.49) ITGB1ITGA4KMT2AALDH1A1HPGD
SCHEMBL7588952 0.89 ITGA4 (0.60) ITGB1ITGA4WNT3ACHEK1MEN1
SCHEMBL7424464 0.87 ITGB1 (0.56) ITGB1ITGA4MEN1POLBMAPT
SCHEMBL7391722 0.87 ITGB1 (0.57) ITGB1ITGA4WNT3API4KB
SCHEMBL7425612 0.86 ITGA4 (0.53) ITGB1ITGA4WNT3ACHEK1
SCHEMBL7420868 0.85 ITGA4 (0.61) ITGB1ITGA4WNT3ACHEK1MEN1
SCHEMBL7476969 0.83 ITGA4 (0.60) ITGB1ITGA4WNT3ACHEK1MEN1
SCHEMBL7429626 0.83 ITGB1 (0.59) ITGB1ITGA4WNT3ACHEK1MEN1
SCHEMBL7429378 0.83 ITGA4 (0.59) ITGB1ITGA4WNT3ACHEK1MEN1
SCHEMBL7425600 0.83 ITGA4 (0.52) ITGB1ITGA4WNT3ACHEK1

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-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