SCHEMBL28995877

SCHEMBL28995877

CC(=O)c1cc2ccccc2c(N)c1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.43
GLA P06280 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 3/20 0.42
CA12 O43570 1/20 0.42
NT5E P21589 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 0.42
NSD2 O96028 1/20 0.42
MCL1 Q07820 1/20 0.42
IDO1 P14902 1/20 0.41
NCEH1 Q6PIU2 2/20 0.40

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
SCHEMBL1669213 0.84 KDM4E (0.52) HSD17B10TP53ALDH1A1HPGDMAPT
SCHEMBL11224026 0.81 POLB (0.51) HSD17B10ALDH1A1HPGDMAPTKDM4E
SCHEMBL27716372 0.81 ALDH1A1 (0.46) HSD17B10TP53ALDH1A1HPGDMAPT
SCHEMBL2856131 0.79 MAPT (0.50) HSD17B10TP53ALDH1A1HPGDMAPT
SCHEMBL11146734 0.77 ALDH1A1 (0.58) HSD17B10TP53ALDH1A1HPGDKDM4E
SCHEMBL2831990 0.77 CYP1A1 (0.55) HSD17B10TP53ALDH1A1HPGDMAPT
SCHEMBL50624 0.76 ALDH1A1 (0.56) HSD17B10ALDH1A1HPGDMAPTKDM4E
SCHEMBL67303 0.75 ALDH1A1 (0.65) HSD17B10TP53ALDH1A1HPGDMAPT
SCHEMBL29491183 0.75 ALDH1A1 (0.65) HSD17B10TP53ALDH1A1HPGDMAPT
SCHEMBL13209727 0.75 CNR2 (0.49) HSD17B10TP53ALDH1A1HPGDMAPT

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
CN-115867866-A Method for producing cured product, resin composition, developer, method for producing laminate, and method for producing semiconductor device 富士胶片株式会社 2023-03-28 CN disclosed