SCHEMBL19720295

SCHEMBL19720295

Cc1cc(Cl)cc(Sc2ccc(C#N)cc2S(=O)(=O)N2CC(C)NC(C)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 15/20 0.36
PAX8 Q06710 1/20 0.35
HTR6 P50406 1/20 0.35
AR P10275 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALK Q9UM73 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
SCHEMBL13157390 0.94 TRPV4 (0.40) TRPV4PAX8CYP3A4KCNH2
SCHEMBL19720319 0.89 POLB (0.40) TRPV4CYP3A4KCNH2CYP19A1
SCHEMBL11964603 0.85 USP2 (0.44) TRPV4HTR6ARCYP3A4
SCHEMBL13157501 0.84 CYP3A4 (0.39) TRPV4CYP3A4KCNH2CYP19A1
SCHEMBL19720296 0.84 TSHR (0.41) ARCYP19A1ALK
SCHEMBL694514 0.83 TRPV4 (0.43) TRPV4ARCYP3A4KCNH2
SCHEMBL13157448 0.83 MEN1 (0.43) TRPV4CYP3A4KCNH2
SCHEMBL693745 0.82 PAX8 (0.39) TRPV4PAX8ARCYP3A4
SCHEMBL19720318 0.81 PKM (0.38) TRPV4ARCYP19A1
SCHEMBL19720294 0.81 TRPV4 (0.34) TRPV4ARCYP3A4KCNH2CYP19A1

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
EP-2749554-B1 2,5-disubstituted arylsulfonamide CCR3 antagonists SMA THERAPEUTICS INC (US) 2017-12-20 EP disclosed