SCHEMBL12377718

SCHEMBL12377718

CC[n+]1c2ccccc2nc2c(CC(=O)OC)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
HSD17B10 Q99714 7/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALOX15 P16050 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
APOBEC3A P31941 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL12415465 0.88 KDM4E (0.45) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL12377719 0.85 TDP1 (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL12377717 0.79 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL17199293 0.77 CYP1A2 (0.54) ALDH1A1MAPTPOLB
SCHEMBL12377714 0.74 MEN1 (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL23855076 0.74 NQO2 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL35210324 0.74 NQO2 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19400976 0.73 KMT2A (0.50) KDM4EALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL9096221 0.72 MEN1 (0.63) KDM4EALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL29361182 0.72 MEN1 (0.63) KDM4EALDH1A1MAPTL3MBTL1KMT2A

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-2265726-B1 BIOSENSOR WITH IMPROVED ANALYTE SPECIFICITY ROCHE DIAGNOSTICS GMBH (DE) 2014-05-07 EP disclosed
US-8008037-B2 Matrix composition with alkylphenazine quaternary salt and a nitrosoaniline ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-08-30 US disclosed
US-20090246808-A1 BIOSENSOR WITH IMPROVED ANALYTE SPECIFICITY ROCHE DIABETES CARE, INC. 2009-10-01 US disclosed