SCHEMBL17804340

SCHEMBL17804340

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TCF4 P15884 1/20 0.36
CTNNB1 P35222 1/20 0.36
FASN P49327 2/20 0.33
HMGCR P04035 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B3 P37058 1/20 0.31

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
SCHEMBL17804333 0.76 TDP1 (0.43) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL17804320 0.76 CYP3A4 (0.47) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL17804326 0.75 KDM4E (0.47) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL7476851 0.69 HSD17B10 (0.46) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL11271074 0.68 HPGD (0.48) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL11071972 0.67 TSHR (0.43) TSHRTDP1ALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL11264387 0.67 HPGD (0.47) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL9559780 0.66 MAPT (0.49) TSHRTDP1ALDH1A1HPGDALOX15
SCHEMBL26596703 0.65 KDM4E (0.44) TDP1HPGDHSD17B10KDM4EMEN1
SCHEMBL4904631 0.65 HSD17B3 (0.60) TDP1ALDH1A1HPGDHSD17B3

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