SCHEMBL12377714

SCHEMBL12377714

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
BLM P54132 1/20 0.41
NLRP3 Q96P20 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
Trifluoroacetic Acid SCHEMBL17187694 0.91 MEN1 (0.38) MEN1KMT2AMAPK1TSHRNPC1
SCHEMBL19220498 0.86 MAPK1 (0.41) MEN1KMT2AMAPK1TSHRNPC1
SCHEMBL17199107 0.85 HDAC3 (0.48) MEN1KMT2AMAPK1TSHRNPC1
SCHEMBL29473405 0.84 POLB (0.52) POLBL3MBTL1KDM4ECYP1A2CYP2C19
SCHEMBL17187688 0.84 POLB (0.52) POLBL3MBTL1KDM4ECYP1A2CYP2C19
SCHEMBL17187715 0.83 KMT2A (0.44) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL17199290 0.82 HTT (0.43) MEN1KMT2AMAPK1TSHRNPC1
SCHEMBL17199293 0.82 CYP1A2 (0.54) POLBALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL17199220 0.78 GLO1 (0.47) MEN1KMT2ATSHRNPC1RAB9A
Trifluoroacetic Acid SCHEMBL17187687 0.77 POLB (0.45) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131882-A1 PHENAZINIUM MEDIATORS Roche Diagnostics GmbH (DE) 2017-02-22 EP disclosed
WO-2015158645-A1 PHENAZINIUM MEDIATORS ROCHE DIAGNOSTICS GMBH (DE) 2015-10-22 WO 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