SCHEMBL9494430

SCHEMBL9494430

CCN(CC)C(=O)n1cnc(S(=O)(=O)Oc2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
SCN4A P35499 1/20 0.36
DPP4 P27487 2/20 0.34
MGLL Q99685 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TSPO P30536 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9495195 0.89 KMT2A (0.40) HPGDTRPM8DPP4MEN1KMT2A
SCHEMBL9494256 0.89 PPARG (0.38) TRPM8DPP4
SCHEMBL9492475 0.88 MGLL (0.42) NPSR1TRPM8DPP4MGLLMEN1
SCHEMBL9495289 0.87 TRPM8 (0.40) TRPM8CA1CA2CA9
SCHEMBL9491411 0.86 ALDH1A1 (0.35) NPSR1DPP4MGLLMEN1KMT2A
SCHEMBL9504915 0.81 CCNC (0.40) HPGDTRPM8MGLLKMT2ALMNA
SCHEMBL9492617 0.81 KMT2A (0.40) HPGDTRPM8MEN1KMT2ALMNA
SCHEMBL11559273 0.79 KMT2A (0.44) NPSR1DPP4KMT2AHCRTR2LMNA
SCHEMBL9493429 0.78 DPP4 (0.38) NPSR1DPP4MGLLKMT2ALMNA
SCHEMBL9544526 0.76 DPP4 (0.40) NPSR1DPP4MGLLKMT2ALMNA

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
US-5211739-A Herbicidal-1-(disubstituted carbamoyl or thiocarbamoyl)-1,2,4-triazol-3-yl sulfonates and thisulfonates ROHM AND HAAS COMPANY (US) 1993-05-18 US claimed