SCHEMBL31034527

SCHEMBL31034527

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 16/20 0.60
▸ PTGES O14684 1/20 0.56
▸ TAS2R8 Q9NYW2 1/20 0.56
▸ CXCR3 P49682 1/20 0.56
▸ APLNR P35414 1/20 0.51
▸ MEP1B Q16820 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL27020194 0.94 TAS2R14 (0.59) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL29671340 0.88 APLNR (0.61) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL31034579 0.86 HDAC6 (0.52) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL31034592 0.83 APLNR (0.52) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL31034596 0.83 APLNR (0.52) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL29665682 0.82 APLNR (0.54) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL31034551 0.81 APLNR (0.56) TAS2R14PTGESTAS2R8CXCR3APLNR
SCHEMBL29671236 0.81 TAS2R14 (0.53) TAS2R14PTGESTAS2R8CXCR3HDAC11
SCHEMBL24472769 0.81 HDAC6 (0.77) TAS2R14CXCR3MEP1BHDAC11HDAC8
SCHEMBL31034590 0.79 APLNR (0.50) TAS2R14PTGESTAS2R8CXCR3APLNR

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
Send feedback