SCHEMBL12377719

SCHEMBL12377719

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
NLRP3 Q96P20 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
AKR1B1 P15121 1/20 0.40
CYP19A1 P11511 1/20 0.38
PTGS2 P35354 4/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 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
SCHEMBL12377718 0.85 KDM4E (0.44) TDP1MEN1KMT2APOLBNPC1
SCHEMBL12415465 0.78 KDM4E (0.45) TDP1MEN1KMT2APOLBNPC1
SCHEMBL19400976 0.76 KMT2A (0.50) MEN1KMT2APOLBNPC1USP2
SCHEMBL2291662 0.76 ALDH1A1 (0.56) TDP1MEN1KMT2ARAB9AKDM4E
SCHEMBL29361182 0.75 MEN1 (0.63) MEN1KMT2APOLBNPC1USP2
SCHEMBL9096221 0.75 MEN1 (0.63) MEN1KMT2APOLBNPC1USP2
SCHEMBL12377694 0.75 LTB4R (0.42) MEN1KMT2APOLBNPC1USP2
SCHEMBL29473405 0.75 POLB (0.52) POLBL3MBTL1KDM4ESMN1; SMN2CYP1A2
SCHEMBL17187688 0.75 POLB (0.52) POLBL3MBTL1KDM4ESMN1; SMN2CYP1A2
SCHEMBL12377714 0.74 MEN1 (0.43) MEN1KMT2APOLBNPC1USP2

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 5 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-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
US-20090246808-A1 BIOSENSOR WITH IMPROVED ANALYTE SPECIFICITY ROCHE DIABETES CARE, INC. 2009-10-01 US disclosed