SCHEMBL2489031

SCHEMBL2489031

C[N+](C)(C)c1cccc([N+](C)(C)C)c1[N+](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 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
SCHEMBL2489382 0.76 APOBEC3A (0.47) ACHEAPOBEC3AAPOBEC3GLMNA
SCHEMBL13567372 0.75 CYP2A6 (0.38) ACHEAPOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL6368017 0.73 APOBEC3A (0.45) ACHEAPOBEC3AAPOBEC3GLMNA
SCHEMBL6744912 0.69 ACHE (0.47) ACHE
SCHEMBL13432835 0.69 APOBEC3A (0.41) ACHEAPOBEC3AAPOBEC3GLMNA
SCHEMBL1842505 0.67 ALDH1A1 (0.48) LMNA
SCHEMBL27977167 0.67 CES2 (0.38) ACHELMNA
SCHEMBL31513480 0.67 ALDH1A1 (0.48) LMNA
Fluoride Ion SCHEMBL7546364 0.67 CYP2A6 (0.43) ACHEAPOBEC3AAPOBEC3G
SCHEMBL7763343 0.67 ACHE (0.50) ACHEAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009724-B1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE AND DIRECT METHANOL FUEL CELL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-20090274944-A1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE AND DIRECT METHANOL FUEL CELL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
EP-2009724-A1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE AND DIRECT METHANOL FUEL CELL Sumitomo Chemical Company, Limited (JP) 2008-12-31 EP disclosed