SCHEMBL9833694

SCHEMBL9833694

CCOC(=O)C1C(=O)Nc2cc3nn[nH]c3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.37
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 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
SCHEMBL9834194 0.80
SCHEMBL9833926 0.77
SCHEMBL9834430 0.76 TDP2 (0.45) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9832663 0.76 TDP2 (0.51) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9834118 0.76 PGR (0.44) ALDH1A1MAPTTP53LMNAPOLB
SCHEMBL9833068 0.75 TDP2 (0.44) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10563087 0.74 NQO2 (0.36) ALDH1A1MAPTTP53LMNAGAA
SCHEMBL9834438 0.74 TDP2 (0.49) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9833078 0.74 TDP2 (0.49) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10566874 0.72 TDP2 (0.37) TDP2ALDH1A1MAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257334-B1 TRICYCLIC BENZOTRIAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1991-01-02 EP disclosed
US-4835167-A Tricyclic benzotriazoles, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
EP-0257334-A2 Tricyclic benzotriazoles, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1988-03-02 EP disclosed