SCHEMBL7686511

SCHEMBL7686511

O=[C]NS(=O)(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HCRTR1 O43613 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL208172 0.84 CA1 (0.53) PGRF2PRSS1PRSS2PRSS3
SCHEMBL2854940 0.79 HCRTR1 (0.47) PGRF2PRSS1PRSS2PRSS3
SCHEMBL11027913 0.77 PGR (0.60) PGRALDH1A1TSHRTTRFABP4
SCHEMBL3768625 0.76 HTR6 (0.46) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL660554 0.74 ALDH1A1 (0.44) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL29623319 0.74 TTR (0.50) F2PRSS1PRSS2PRSS3KDM4E
Anthracene SCHEMBL27538789 0.74 TTR (0.50) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL155232 0.74 TTR (0.50) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL528644 0.73 CA2 (0.68) KDM4EALDH1A1GAACA1CA2
SCHEMBL5008290 0.73 ALDH1A1 (0.43) F2PRSS1PRSS2PRSS3KDM4E

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed