SCHEMBL45952

SCHEMBL45952

CC(C)(C#N)c1cccc(C(C)(C)N=C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
ROCK1 Q13464 1/20 0.36
BRAF P15056 16/20 0.34
CYP2C9 P11712 4/20 0.33
PDPK1 O15530 1/20 0.32
ADAM17 P78536 1/20 0.31
CYP19A1 P11511 1/20 0.31
UGT1A4 P22310 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL34924 0.88 ESR1 (0.36)
SCHEMBL18126139 0.83 ESR1 (0.32)
SCHEMBL39076 0.82 HDAC8 (0.43) CYP2C9
SCHEMBL2494913 0.82 ESR1 (0.33)
Carbimide SCHEMBL4253887 0.82 ESR1 (0.33)
SCHEMBL13062772 0.82 RORC (0.33)
SCHEMBL12050426 0.82 ESR1 (0.33)
SCHEMBL1592771 0.82 JAK2 (0.44) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL24833769 0.81 PGK1 (0.32)
SCHEMBL800741 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43480-E1 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2012-06-19 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-20100327216-A1 MICROCAPSULES, THEIR PREPARATION AND USE BASF SE (DE) 2010-12-30 US disclosed
US-7811742-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2010-10-12 US disclosed
US-20100144225-A1 METHOD FOR TREATING SURFACES BASF SE (DE) 2010-06-10 US disclosed
US-20090148792-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-06-11 US disclosed
US-20080268372-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-20080064842-A1 In-Situ Chain Extended Rtv-Curing Polyether HENKEL CORPORATION 2008-03-13 US disclosed