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Sugi Predict / Compounds / SCHEMBL3910133

SCHEMBL3910133

SCHEMBL3910133

N=C(N)c1cccc(OC[C@H](Cc2ccc(CC3CCNCC3)cc2)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.47
▸ ITGA2B P08514 5/20 0.47
▸ F10 P00742 9/20 0.46
▸ F2 P00734 9/20 0.44
▸ PLG P00747 6/20 0.44
▸ PLAU P00749 5/20 0.44
▸ ST14 Q9Y5Y6 5/20 0.44
▸ TMPRSS6 Q8IU80 4/20 0.41
▸ PIN1 Q13526 1/20 0.40

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
SCHEMBL3910138 1.00 ITGB3 (0.47) ITGB3ITGA2BF10F2PLG
Trifluoroacetic Acid SCHEMBL3901253 0.95 F2 (0.49) ITGB3ITGA2BF10F2PLG
SCHEMBL14132285 0.89 F10 (0.46) ITGB3ITGA2BF10F2PLG
SCHEMBL14132239 0.89 F10 (0.46) ITGB3ITGA2BF10F2PLG
Trifluoroacetic Acid SCHEMBL3900418 0.85 F2 (0.46) ITGB3ITGA2BF10F2PLG
Trifluoroacetic Acid SCHEMBL3900322 0.85 F2 (0.46) ITGB3ITGA2BF10F2PLG
Trifluoroacetic Acid SCHEMBL3911521 0.84 F10 (0.48) F10F2PLGPLAUST14
SCHEMBL14132069 0.83 F10 (0.45) ITGB3ITGA2BF10F2PLG
SCHEMBL14132088 0.82 F10 (0.53) F10F2PLGPLAUST14
SCHEMBL3902762 0.81 F10 (0.43) ITGB3ITGA2BF10F2PLG

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed