SCHEMBL12415465

SCHEMBL12415465

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
NLRP3 Q96P20 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
TSHR P16473 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
SCHEMBL12377718 0.88 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL12415468 0.80 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL17199293 0.80 CYP1A2 (0.54) ALDH1A1POLBMAPT
SCHEMBL12377719 0.78 TDP1 (0.43) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL12377714 0.72 MEN1 (0.43) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL23855076 0.72 NQO2 (0.56) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL35210324 0.72 NQO2 (0.56) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10438855 0.72 CYP4F2 (0.58) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL19400976 0.71 KMT2A (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17199107 0.71 HDAC3 (0.48) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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