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SCHEMBL7379263

SCHEMBL7379263

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)N(C)S(=O)(=O)C3=NC=NC3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 18/20 0.55
▸ ITGB1 P05556 17/20 0.55
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL7422320 0.88 ITGA4 (0.56) ITGA4ITGB1MEN1KMT2A
SCHEMBL7590998 0.88 ITGB1 (0.62) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7424464 0.86 ITGB1 (0.56) ITGA4ITGB1MEN1KMT2A
SCHEMBL7426753 0.84 ITGB1 (0.64) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7422315 0.83 ITGA4 (0.54) ITGA4ITGB1MEN1KMT2A
SCHEMBL7647170 0.82 ITGA4 (0.62) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7425495 0.82 ITGB1 (0.61) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7421722 0.82 ITGB1 (0.61) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7426542 0.81 ITGB1 (0.59) ITGA4ITGB1MEN1KMT2ABCHE
SCHEMBL7378504 0.81 ITGA4 (0.59) ITGA4ITGB1MEN1KMT2ABCHE

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