SCHEMBL7375575

SCHEMBL7375575

N=C(N)Nc1cccc(C(=O)NOC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGAV P06756 3/20 0.52
ITGA2B P08514 3/20 0.52
ITGB1 P05556 2/20 0.52
ITGB5 P18084 2/20 0.52
MMP9 P14780 2/20 0.51
CTSL P07711 2/20 0.48
F2 P00734 6/20 0.48
PLG P00747 5/20 0.48
ST14 Q9Y5Y6 5/20 0.48
PLAU P00749 5/20 0.48
F10 P00742 4/20 0.48
CTSS P25774 1/20 0.48
TMPRSS6 Q8IU80 2/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7376066 0.89 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7378145 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2BCTSLF10
SCHEMBL7378012 0.86 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7452996 0.86 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380577 0.85 CTSL (0.54) CTSLF2F10CA12CA1
SCHEMBL7383779 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7383774 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7377898 0.84 CA12 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7375597 0.82 CA12 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7409607 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed