SCHEMBL8992813

SCHEMBL8992813

N=C(N)c1ccc(/C=C/c2ccc3c(c2)C(=O)N(CCC(=O)O)Cc2nnnn2-3)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.73
ITGA2B P08514 16/20 0.73
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
PRMT5 O14744 1/20 0.33
PRMT1 Q99873 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1387801 0.86 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8992972 0.84 ITGB3 (1.00) ITGB3ITGA2BKDM4EALDH1A1HPGD
SCHEMBL8993122 0.84 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8992929 0.83 ITGB3 (0.54) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798199 0.83 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7359659 0.82 ITGB3 (0.74) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993356 0.81 ITGB3 (0.50) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993076 0.81 ITGB3 (0.51) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993058 0.81 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8993287 0.79 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