SCHEMBL3987899

SCHEMBL3987899

C=C[CH]NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HCRTR1 O43613 1/20 0.48
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL208173 0.81 CA1 (0.53) F2PRSS1PRSS2PRSS3CA1
SCHEMBL11174854 0.79 CA1 (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL207374 0.79 HCRTR1 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2371351 0.77 CA1 (0.57) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2442410 0.77 HCRTR1 (0.51) F2PRSS1PRSS2PRSS3CA1
SCHEMBL6580093 0.76 CA1 (0.61) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2371611 0.75 HCRTR1 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7906849 0.75 KDM4E (0.59) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10994471 0.73 CA1 (0.57) F2PRSS1PRSS2PRSS3CA1
SCHEMBL13241505 0.73 CA1 (0.57) F2PRSS1PRSS2PRSS3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032530-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2009-03-11 EP claimed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 WO claimed
EP-1838700-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS Novartis AG (CH) 2007-10-03 EP disclosed
WO-2006072589-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-07-13 WO disclosed