SCHEMBL14610352

SCHEMBL14610352

N=C(c1ccc(OCCCl)cc1N)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.38
HTR6 P50406 2/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MCL1 Q07820 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
CXCR2 P25025 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL14610119 0.78 HTR1D (0.43) F2HTR6PRSS1PRSS2PRSS3
SCHEMBL3533435 0.78 HTR6 (0.38) F2HTR6PRSS1PRSS2PRSS3
SCHEMBL14610346 0.77 SLC6A4 (0.44) HTR6MTNR1AMTNR1B
SCHEMBL14610408 0.77 KDM4E (0.39) F2PRSS1PRSS2PRSS3MTNR1A
SCHEMBL14610399 0.75 GCGR (0.51) ESR1ESR2
SCHEMBL14610349 0.75 GCGR (0.52) ESR1ESR2
SCHEMBL14610197 0.75 KDM4E (0.46) MTNR1AMTNR1BNPY5R
SCHEMBL14610129 0.74 CA12 (0.45) F2HTR6CA1CA9
SCHEMBL14610113 0.73 CA12 (0.40) F2HTR6CA1CA9MTNR1A
SCHEMBL14610421 0.72 HTR1D (0.43) F2HTR6PRSS1PRSS2PRSS3

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-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed