SCHEMBL8797632

SCHEMBL8797632

N=C(N)c1ccc(C#Cc2ccc3c(c2)C(=O)N(CCC(=O)O)Cc2ncc(-c4ccccc4)n2-3)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.64
ITGA2B P08514 15/20 0.64
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NQO2 P16083 1/20 0.34
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ASIC3 Q9UHC3 1/20 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
SCHEMBL8798886 0.88 ITGB3 (0.65) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797528 0.88 ITGB3 (0.69) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993287 0.87 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797500 0.86 ITGB3 (0.66) ITGB3ITGA2BKDM4EF2
SCHEMBL8797225 0.85 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8798205 0.82 ITGB3 (0.69) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797941 0.82 ITGB3 (0.70) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797842 0.80 ITGB3 (0.67) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798079 0.80 ITGB3 (0.54) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL1387801 0.79 ITGB3 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP claimed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP claimed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed