SCHEMBL45966

SCHEMBL45966

Cc1c(C#N)cccc1N=C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.38
NISCH Q9Y2I1 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL29463358 0.84 CYP3A4 (0.54) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL136118 0.84 CYP3A4 (0.54) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL15092 0.82 CYP3A4 (1.00) CYP3A4TSHRALDH1A1TRPA1GABRA1
SCHEMBL21221254 0.81 ALDH1A1 (0.43) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12948003 0.81 ALDH1A1 (0.45) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL27946613 0.80 CYP3A4 (0.95) CYP3A4TSHRALDH1A1TRPA1GABRA1
SCHEMBL300907 0.78 CYP3A4 (0.47) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL28583292 0.76 CYP3A4 (0.87) CYP3A4TSHRALDH1A1TRPA1GABRA1
SCHEMBL93192 0.76 CYP3A4 (0.79) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL29440559 0.76 CYP3A4 (0.79) CYP3A4SMN1; SMN2MEN1MAPTKMT2A

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
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20110281200-A1 COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME SNU R&DB FOUNDATION (KR) 2011-11-17 US disclosed
US-20110028641-A1 Radiation Curable Compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2011-02-03 US disclosed
US-7833589-B2 comprising cholesteric liquid crystal and microcapsules having wall component of polyurethane and polyurea, and isocyanate components such as methyl-2,4-bis(isocyanatemethyl)cyclohexane; memory display retains display with no power realized via selective reflection states FUJI XEROX CO., LTD. (JP) 2010-11-16 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-7491487-B2 Polymerizable composition and lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed