SCHEMBL872388

SCHEMBL872388

Fc1ccc(-c2cnc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
IDO1 P14902 7/20 0.64
ASIC3 Q9UHC3 2/20 0.64
CYP3A4 P08684 4/20 0.63
MAPT P10636 1/20 0.55
LTA4H P09960 1/20 0.55
CYP2D6 P10635 2/20 0.52
CYP2E1 P05181 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP1A2 P05177 1/20 0.50
HPGDS O60760 1/20 0.47
CYP17A1 P05093 1/20 0.45

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
SCHEMBL13030725 0.89 POLB (0.79) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL17800997 0.86 IDO1 (0.75) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL27880327 0.80 IDO1 (0.67) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL482297 0.78 IDO1 (0.64) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL872238 0.78 IDO1 (0.64) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL1951516 0.78 IDO1 (1.00) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL27577902 0.78 IDO1 (0.91) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL17782163 0.78 ASIC3 (1.00) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL205481 0.78 IDO1 (0.64) POLBSMN1; SMN2IDO1ASIC3CYP3A4
SCHEMBL31403025 0.78 POLB (0.63) POLBSMN1; SMN2IDO1ASIC3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109890805-A Substituted azole derivatives for the production, proliferation and differentiation of hematopoietic stem and progenitor cells 新加坡国立大学 2019-06-14 CN claimed
CN-109890805-B Substituted azole derivatives for the production, proliferation and differentiation of hematopoietic stem and progenitor cells 新加坡国立大学 2023-04-04 CN disclosed
EP-3032625-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2020-01-08 EP disclosed
CN-109890805-A Substituted azole derivatives for the production, proliferation and differentiation of hematopoietic stem and progenitor cells 新加坡国立大学 2019-06-14 CN 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-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