SCHEMBL13990198

SCHEMBL13990198

COC(=O)c1cc(N)ccc1-c1ccc(N)cc1C=C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
KDM4E B2RXH2 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ATM Q13315 2/20 0.38
GLA P06280 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ABCB1 P08183 1/20 0.38
CFTR P13569 3/20 0.37
ABL1 P00519 1/20 0.37
USP2 O75604 1/20 0.36
PAX8 Q06710 1/20 0.36
GOPC Q9HD26 1/20 0.36

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
SCHEMBL9705197 0.83 GAA (0.65) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL13990199 0.78 GABRG2 (0.37) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL13990213 0.74 KDM4E (0.37) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL2726928 0.72 GAA (0.54) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5099640 0.71 GAA (0.50) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL29706660 0.71 GAA (0.50) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL1403643 0.71 GAA (0.72) GAAKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL18000077 0.71 GAA (0.47) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL1165503 0.71 GAA (0.62) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL15832745 0.70 KDM4E (0.56) GAAKDM4ECYP1A2CYP2D6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522967-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY INTERNATIONAL INC. (US) 2016-12-20 US disclosed
US-20080306179-A1 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. 2008-12-11 US disclosed