SCHEMBL5879558

SCHEMBL5879558

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCc2cc(CNc3ccccn3)cs2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.74
ITGAV P06756 10/20 0.74
KDM4E B2RXH2 1/20 0.42
THRB P10828 4/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5879562 0.86 ITGB3 (0.56) ITGB3ITGAV
SCHEMBL5879621 0.82 ITGB3 (0.51) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879569 0.82 ITGB3 (0.51) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879664 0.75 ITGB3 (0.52) ITGB3ITGAVKDM4EGAA
SCHEMBL5028382 0.75 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL5879751 0.75 ITGB3 (0.49) ITGB3ITGAVKDM4ETHRBGAA
SCHEMBL5879645 0.74 ITGB3 (0.61) ITGB3ITGAVKDM4EPOLB
SCHEMBL5879680 0.73 ITGB3 (0.46) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879553 0.72 ITGB3 (0.47) ITGB3ITGAVKDM4EPOLBGAA
SCHEMBL5879778 0.72 ITGB3 (0.43) ITGB3ITGAVKDM4ETHRB

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed