SCHEMBL872414

SCHEMBL872414

Clc1cccc(-c2cnc[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 1.00
CYP3A4 P08684 2/20 0.60
CYP2E1 P05181 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
NOTUM Q6P988 1/20 0.51
SCN9A Q15858 1/20 0.51
SCN2A Q99250 1/20 0.50
HPGDS O60760 1/20 0.50
NPY5R Q15761 1/20 0.49
ASIC3 Q9UHC3 1/20 0.47

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
SCHEMBL21128574 0.79 IDO1 (0.74) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL1502406 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL872416 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL871586 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL25214286 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL25262025 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL1949479 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL482297 0.76 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL311306 0.76 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL191327 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3032625-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2020-01-08 EP disclosed
EP-3264506-A1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2018-01-03 EP disclosed
EP-2458667-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2017-05-24 EP disclosed
EP-2763223-B1 POROUS SEPARATOR FOR FUEL CELLS NISSHINBO CHEMICAL INC (JP) 2016-11-16 EP disclosed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
EP-3032625-A1 FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2016-06-15 EP disclosed
US-20160156044-A1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC. (JP) 2016-06-02 US disclosed
EP-2763223-A1 POROUS SEPARATOR FOR FUEL CELLS Nisshinbo Chemical Inc. (JP) 2014-08-06 EP disclosed
US-8372192-B2 Fuel cell separator NISSHINBO CHEMICAL INC. (JP) 2013-02-12 US disclosed
EP-2458667-A1 FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2012-05-30 EP disclosed
US-20120077111-A1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC. (JP) 2012-03-29 US disclosed