SCHEMBL8993356

SCHEMBL8993356

N=C(N)c1ccc(/C=C/c2ccc3c(c2)C(=O)N(CCC(=O)O)Cc2nnc(-c4ccccc4)n2-3)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.50
ITGA2B P08514 16/20 0.50
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL8993287 0.88 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798886 0.87 ITGB3 (0.65) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798139 0.85 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL8993076 0.85 ITGB3 (0.51) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8798159 0.84 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8993058 0.83 ITGB3 (0.53) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8992813 0.81 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359659 0.80 ITGB3 (0.74) 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