SCHEMBL8993076

SCHEMBL8993076

COc1nnc2n1-c1ccc(/C=C/c3ccc(C(=N)N)cc3)cc1C(=O)N(CCC(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.51
ITGA2B P08514 15/20 0.51
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
F2 P00734 3/20 0.33
F10 P00742 2/20 0.33

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
SCHEMBL8992929 0.89 ITGB3 (0.54) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993122 0.88 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797842 0.87 ITGB3 (0.67) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798242 0.85 ITGB3 (0.69) ITGB3ITGA2BKDM4EF2F10
SCHEMBL8993356 0.85 ITGB3 (0.50) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8799813 0.85 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL8993058 0.83 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359659 0.81 ITGB3 (0.74) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8992813 0.81 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993287 0.80 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR

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-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed