SCHEMBL31034596

SCHEMBL31034596

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.52
▸ TAS2R14 Q9NYV8 11/20 0.52
▸ PTGES O14684 1/20 0.48
▸ TAS2R8 Q9NYW2 1/20 0.48
▸ CXCR3 P49682 1/20 0.48
▸ HDAC6 Q9UBN7 5/20 0.47
▸ HDAC11 Q96DB2 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 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
SCHEMBL31034592 1.00 APLNR (0.52) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL29671340 0.89 APLNR (0.61) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034590 0.85 APLNR (0.50) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034527 0.83 TAS2R14 (0.60) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL29665682 0.83 APLNR (0.54) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034551 0.82 APLNR (0.56) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL31034579 0.80 HDAC6 (0.52) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL27020194 0.80 TAS2R14 (0.59) APLNRTAS2R14PTGESTAS2R8CXCR3
SCHEMBL24472769 0.79 HDAC6 (0.77) TAS2R14CXCR3HDAC6HDAC11HDAC8
SCHEMBL29671219 0.78 APLNR (0.51) 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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