SCHEMBL29669013

SCHEMBL29669013

O=S(=O)(Cl)c1cc(Cl)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
PTGES2 Q9H7Z7 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SGK1 O00141 5/20 0.33
SOS1 Q07889 2/20 0.33
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
PKM P14618 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL320432 1.00 TRPV4 (0.41) TRPV4CA1CA2CA9PTGES2
SCHEMBL29669007 1.00 TRPV4 (0.41) TRPV4CA1CA2CA9PTGES2
SCHEMBL30485974 0.91 TRPV4 (0.41) TRPV4CA1CA2CA9PTGES2
SCHEMBL1501202 0.91 TRPV4 (0.41) TRPV4CA1CA2CA9PTGES2
SCHEMBL1829297 0.88 TRPV4 (0.42) TRPV4CA1CA2CA9PTGES2
SCHEMBL29503458 0.88 TRPV4 (0.42) TRPV4CA1CA2CA9PTGES2
SCHEMBL3948181 0.86 TRPV4 (0.46) TRPV4CA1CA2CA9PTGES2
SCHEMBL320605 0.83 SLC1A3 (0.37) TRPV4CA1CA2PTGES2CA12
SCHEMBL29835175 0.83 SLC1A3 (0.37) TRPV4CA1CA2PTGES2CA12
SCHEMBL3912870 0.82 TRPV4 (0.46) TRPV4CA1CA2CA9PTGES2

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
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed