SCHEMBL8837101

SCHEMBL8837101

N=C(N)c1ccc(C#Cc2ccc3c(c2)C(=O)N(CCC(=O)O)CC(=O)N3Cc2ccc(F)cc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.68
ITGA2B P08514 14/20 0.68
F2 P00734 1/20 0.39
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 3/20 0.35
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL7359445 0.93 ITGB3 (0.58) ITGB3ITGA2BF2FFAR1FFAR4
SCHEMBL7363456 0.87 ITGB3 (0.52) ITGB3ITGA2BF2KDM4EALOX15
SCHEMBL7421820 0.86 ITGB3 (0.59) ITGB3ITGA2BF2KDM4EKLKB1
SCHEMBL7354920 0.85 ITGB3 (0.55) ITGB3ITGA2BF2
SCHEMBL7363458 0.84 ITGB3 (0.47) ITGB3ITGA2BF2KDM4EALOX15
SCHEMBL8837116 0.84 ITGB3 (0.72) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7325169 0.81 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7363241 0.81 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL8837187 0.81 ITGB3 (1.00) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7332946 0.79 ITGB3 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed