SCHEMBL9495289

SCHEMBL9495289

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ENPP3 O14638 5/20 0.36
ENPP1 P22413 4/20 0.36
ENPP2 Q13822 4/20 0.36
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NOS1 P29475 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL9494430 0.87 YAP1 (0.40) TRPM8CA1CA2CA9
SCHEMBL9494256 0.86 PPARG (0.38) TRPM8ENPP1
SCHEMBL9495195 0.86 KMT2A (0.40) TRPM8ALDH1A1
SCHEMBL9492475 0.85 MGLL (0.42) TRPM8POLBALDH1A1
SCHEMBL9491411 0.83 ALDH1A1 (0.35) POLBMAOBALDH1A1
SCHEMBL9492135 0.80 DPP4 (0.35)
SCHEMBL9504915 0.78 CCNC (0.40) TRPM8ALDH1A1
SCHEMBL9492617 0.78 KMT2A (0.40) TRPM8
SCHEMBL9493429 0.76 DPP4 (0.38) POLBALDH1A1
SCHEMBL9377407 0.75 CNR1 (0.38)

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