SCHEMBL12377705

SCHEMBL12377705

CC[n+]1c2ccccc2nc2c(OCCCO)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
BLM P54132 1/20 0.40
NLRP3 Q96P20 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 4/20 0.37
PDE5A O76074 1/20 0.35
NQO2 P16083 1/20 0.35
TLR8 Q9NR97 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL12377709 0.87 NPC1 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12377700 0.86 HTR1B (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12377694 0.85 LTB4R (0.42) MEN1KMT2ANPC1RAB9APOLB
Acetic Acid SCHEMBL1258679 0.83 LTB4R (0.41) MEN1KMT2ANPC1RAB9APOLB
Acetic Acid SCHEMBL1258682 0.81 LTB4R (0.40) MEN1KMT2ALMNA
SCHEMBL12377706 0.81 NPC1 (0.36) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1258702 0.81 LTB4R (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL23855076 0.80 NQO2 (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL35210324 0.80 NQO2 (0.56) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12377702 0.78 RAB9A (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1

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