SCHEMBL20007811

SCHEMBL20007811

C#Cc1ccc(S(=O)(=O)N2CC[C@](O)(CO)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.41
RBP1 P09455 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 2/20 0.31
KCNH2 Q12809 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL20007310 0.88 TRPV4 (0.49) TRPV4TRPM8CYP3A4KCNH2
SCHEMBL23613990 0.83 TRPV4 (0.41) TRPV4RBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL20007693 0.83 TRPV4 (0.41) TRPV4RBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL20007244 0.79 TRPV4 (0.46) TRPV4
SCHEMBL20007647 0.73 RBP1 (0.39) RBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20007441 0.70 POLB (0.56) TRPV4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23613847 0.70 TRPV4 (0.57) TRPV4TRPM8
SCHEMBL23614037 0.69 TRPV4 (0.38) TRPV4ALDH1A1SMN1; SMN2CYP3A4KCNH2
SCHEMBL20007703 0.68 TRPV4 (0.43) TRPV4RBP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23614048 0.67 TRPV4 (0.40) TRPV4TRPM8ALDH1A1SMN1; SMN2CYP3A4

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-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed