SCHEMBL20207280

SCHEMBL20207280

COc1ccc(CN(Cc2ccc(O)cc2)S(C)(=O)=O)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.84
TAS2R14 Q9NYV8 10/20 0.61
CALM1 P0DP23 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 2/20 0.49
PTPN1 P18031 1/20 0.49
PTGES O14684 1/20 0.49
TAS2R8 Q9NYW2 1/20 0.49
CXCR3 P49682 1/20 0.49
LTA4H P09960 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL14546179 0.92 APLNR (1.00) APLNRTAS2R14LMNAPTPN1PTGES
SCHEMBL15721328 0.83 APLNR (0.83) APLNRTAS2R14LMNAPTPN1PTGES
SCHEMBL15721326 0.81 APLNR (0.78) APLNRTAS2R14LMNAPTGESTAS2R8
SCHEMBL18254268 0.80 APLNR (0.77) APLNRTAS2R14LMNAPTPN1PTGES
SCHEMBL27083378 0.78 TAS2R14 (0.72) TAS2R14PKMPTGESTAS2R8CXCR3
SCHEMBL15721343 0.77 APLNR (0.71) APLNRTAS2R14LMNAPTGESTAS2R8
SCHEMBL1278748 0.77 TAS2R14 (1.00) TAS2R14PTGESTAS2R8CXCR3
SCHEMBL2513385 0.77 TAS2R14 (0.70) TAS2R14PTPN1PTGESTAS2R8CXCR3
SCHEMBL27503924 0.76 ESR1 (0.54) APLNRLMNA
SCHEMBL11609 0.76 APLNR (0.71) APLNRTAS2R14PKM

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-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed