SCHEMBL2372503

SCHEMBL2372503

CC(=O)N[CH]NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
TSHR P16473 1/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
HDAC1 Q13547 1/20 0.45
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
PFKFB3 Q16875 1/20 0.43

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
SCHEMBL2442410 0.81 HCRTR1 (0.51) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL208918 0.80 HCRTR1 (0.56) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL207374 0.78 HCRTR1 (0.54) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL2372707 0.77 BCAT1 (0.59) HDAC1CA1CA2CA9ALDH1A1
SCHEMBL208173 0.76 CA1 (0.53) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL11174854 0.74 CA1 (0.52) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL2371611 0.74 HCRTR1 (0.50) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL3698223 0.72 HCRTR1 (0.58) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL8224014 0.72 F2 (0.60) HCRTR1TSHRF2PRSS1PRSS2
SCHEMBL25140723 0.72 HCRTR1 (0.59) HCRTR1TSHRF2PRSS1PRSS2

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-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP claimed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO claimed
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO disclosed