SCHEMBL23769039

SCHEMBL23769039

OC(Nc1ccc2c(c1)N(Cc1ccccc1)CCS2)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.52
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
GFER P55789 4/20 0.44
GLA P06280 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 4/20 0.44
GAA P10253 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29978853 0.89 MAPT (0.56) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL23769036 0.89 MAPT (0.56) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL30248448 0.82 MAPT (0.52) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL25028529 0.82 MAPT (0.52) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL23768827 0.81 MAPT (0.49) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL29227011 0.80 MAPT (0.48) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL29227188 0.80 MAPT (0.48) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL25028042 0.80 MAPT (0.48) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL29227209 0.80 MAPT (0.48) MAPTKDM4EALDH1A1HPGDGFER
SCHEMBL30248409 0.80 MAPT (0.48) MAPTKDM4EALDH1A1HPGDGFER

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-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 WO disclosed