SCHEMBL17804326

SCHEMBL17804326

C=Cc1cc(N)c(C)c(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 6/20 0.44
GAA P10253 5/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
GLA P06280 2/20 0.42
ATM Q13315 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CFTR P13569 3/20 0.42
ABL1 P00519 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.34

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
SCHEMBL1228188 0.83 PTGS2 (0.40) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2895850 0.83 ABL1 (0.47) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL26689624 0.79 ALDH1A1 (0.57) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL5629366 0.78 KDM4E (0.63) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL6824936 0.78 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL21711898 0.76 KDM4E (0.43) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL18829858 0.76 CA12 (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL31615975 0.75 KDM4E (0.52) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL17804340 0.75 TSHR (0.40) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3575890 0.75 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10HPGD

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-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed