SCHEMBL31034551

SCHEMBL31034551

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.56
▸ TAS2R14 Q9NYV8 14/20 0.53
▸ PTGES O14684 1/20 0.48
▸ TAS2R8 Q9NYW2 1/20 0.48
▸ CXCR3 P49682 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL29671340 0.90 APLNR (0.61) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31172639 0.86 APLNR (0.56) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31149695 0.83 APLNR (0.54) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL29665752 0.83 HDAC6 (0.57) APLNRTAS2R14HDAC11HDAC8HDAC6
SCHEMBL31149696 0.83 APLNR (0.54) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL25578370 0.82 TAS2R14 (0.55) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034596 0.82 APLNR (0.52) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034592 0.82 APLNR (0.52) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034527 0.81 TAS2R14 (0.60) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL29665682 0.81 APLNR (0.54) APLNRTAS2R14PTGESTAS2R8CXCR3

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-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 — — WO disclosed
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