SCHEMBL7363610

SCHEMBL7363610

CCC(CC(=O)O)c1cccc(C(=N)N)c1.CS(=O)(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.60
F2 P00734 14/20 0.60
PRSS1 P07477 10/20 0.60
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL7463474 0.94 F2 (0.54) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8347672 0.88 F2 (0.54) F10F2PRSS1
Benzamidine SCHEMBL7366537 0.86 F10 (0.67) F10F2PRSS1
Methyl Benzoate SCHEMBL7359033 0.82 F10 (0.61) F10F2PRSS1
4-Methylbenzimidamide SCHEMBL7357637 0.80 F10 (0.65) F10F2PRSS1
SCHEMBL7366288 0.79 F10 (0.64) F10F2PRSS1
SCHEMBL7456785 0.79 F10 (0.71) F10F2PRSS1
Benzamide SCHEMBL7364697 0.78 F10 (0.55) F10F2PRSS1
Methyl Benzoate SCHEMBL7560351 0.77 F2 (0.55) F10F2PRSS1
Benzamidine SCHEMBL7359774 0.75 F10 (0.54) F10F2PRSS1

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-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed