SCHEMBL1387801

SCHEMBL1387801

N=C(N)c1ccc(C#Cc2ccc3c(c2)C(=O)N(CCC(=O)O)Cc2nnnn2-3)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.73
ITGA2B P08514 19/20 0.73
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL8992813 0.86 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8992972 0.84 ITGB3 (1.00) ITGB3ITGA2BKDM4E
SCHEMBL8798205 0.84 ITGB3 (0.69) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797941 0.83 ITGB3 (0.70) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798199 0.83 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL8837187 0.82 ITGB3 (1.00) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798886 0.81 ITGB3 (0.65) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797842 0.81 ITGB3 (0.67) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797528 0.81 ITGB3 (0.69) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8797632 0.79 ITGB3 (0.64) 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 6 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
JP-H09501158-A 1997-02-04 JP claimed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP claimed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO claimed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed