SCHEMBL9683164

SCHEMBL9683164

COC(=O)c1ccc(Nc2ccc(Nc3ccccc3)cc2)c(N)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.70
KDM4E B2RXH2 9/20 0.70
MAPT P10636 8/20 0.70
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 5/20 0.70
HPGD P15428 4/20 0.70
THRB P10828 2/20 0.70
GFER P55789 3/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
SIRT2 Q8IXJ6 1/20 0.56
GLA P06280 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL4002584 0.98 GAA (0.72) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL12374632 0.88 MAPT (0.74) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL144278 0.87 MAPT (0.58) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL20631545 0.87 GAA (0.59) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL30033633 0.87 GAA (0.59) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL15020894 0.85 GAA (0.60) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL15319909 0.85 GAA (0.65) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL11794787 0.84 GAA (0.68) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL23675160 0.83 GAA (0.58) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2666277 0.83 GAA (0.58) GAAKDM4EMAPTALDH1A1HSD17B10

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
EP-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed