SCHEMBL8842860

SCHEMBL8842860

N=C(N)NCC(S)CCc1ccc2c(c1)C(=O)N(C(CC(=O)OC(=O)C(F)(F)F)c1ccccc1)CC(=O)N2Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
TP53 P04637 1/20 0.30

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
SCHEMBL7331785 0.89 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7327280 0.88 ITGB3 (0.32) ITGB3ITGA2BTP53
SCHEMBL7329123 0.87 HDAC3 (0.36) ITGB3ITGA2BTP53
SCHEMBL7330303 0.86 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7425190 0.86 MEN1 (0.32)
SCHEMBL7332009 0.83 MEN1 (0.33) ITGB3ITGA2BTP53
SCHEMBL8842967 0.82 MEN1 (0.33) TP53
SCHEMBL7328479 0.82 ITGB3 (0.39) ITGB3ITGA2BTP53
SCHEMBL7331803 0.81 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7330721 0.81 ITGB3 (0.36) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed