SCHEMBL5879569

SCHEMBL5879569

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCc2csc(Nc3ccccn3)n2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.51
ITGAV P06756 12/20 0.51
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5879621 0.86 ITGB3 (0.51) ITGB3ITGAVKDM4ETHRBMAPK1
SCHEMBL5879553 0.84 ITGB3 (0.47) ITGB3ITGAVKDM4ELMNA
SCHEMBL5879558 0.82 ITGB3 (0.74) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879645 0.74 ITGB3 (0.61) ITGB3ITGAVKDM4EHTTNPC1
SCHEMBL5879664 0.73 ITGB3 (0.52) ITGB3ITGAVKDM4ELMNA
SCHEMBL5879778 0.73 ITGB3 (0.43) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879692 0.73 NOS2 (0.48) ITGB3ITGAVKDM4EMAPT
SCHEMBL5879751 0.73 ITGB3 (0.49) ITGB3ITGAVKDM4ETHRBNPC1
SCHEMBL5879698 0.71 ITGB3 (0.71) ITGB3ITGAVNPC1MAPTRAB9A
SCHEMBL5879538 0.70 ITGB3 (0.73) ITGB3ITGAV

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