SCHEMBL21886040

SCHEMBL21886040

[O-][S+](CC1(O)CC1)c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
UBE2T Q9NPD8 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
CASR P41180 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL6085201 0.77 CNR1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19385926 0.76 NPC1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19385849 0.76 FBP1 (0.43) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL11376480 0.76 UBE2T (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10926412 0.76 NPC1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19385848 0.76 FBP1 (0.43) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL11429532 0.74 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL11499868 0.74 SMN1; SMN2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25759375 0.72 MAPT (0.50) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL21885805 0.72 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4EMAPT

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-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed