SCHEMBL5879571

SCHEMBL5879571

CC(=O)OC1c2ccccc2C(=O)N(Cc2nc(C(=O)NCc3ccc(-c4nc5ccccc5[nH]4)cc3)cs2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.53
ITGAV P06756 11/20 0.53
SLC40A1 Q9NP59 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL5879901 0.79 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879555 0.76 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879562 0.75 ITGB3 (0.56) ITGB3ITGAVSLC40A1SMN1; SMN2
SCHEMBL5879791 0.75 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879538 0.73 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879582 0.72 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879540 0.71 ITGB3 (0.63) ITGB3ITGAV
Hydrochloric Acid SCHEMBL5879699 0.69 ITGB3 (0.98) ITGB3ITGAV
SCHEMBL5879517 0.67 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL6700952 0.67 TSHR (0.52) ITGB3ITGAVSMN1; SMN2

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