SCHEMBL7832112

SCHEMBL7832112

CCc1ncccc1C(CC(=O)O)NC(=O)CN(C)C(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.41
ITGA2B P08514 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
ITGA8 P53708 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CTSA P10619 2/20 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
SCHEMBL7835684 0.85 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6779388 0.82 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7836730 0.82 ITGB3 (0.40) ITGB3ITGA2BPARP1PARP10ITGAV
SCHEMBL7837230 0.78 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7836410 0.78 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7832124 0.77 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7836585 0.77 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7836000 0.75 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7832113 0.74 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL6984586 0.74 ITGB3 (0.65) ITGB3ITGA2B

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
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed