SCHEMBL2489382

SCHEMBL2489382

C[N+](C)(C)c1ccccc1[N+](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ACHE P22303 10/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
ALOX12 P18054 2/20 0.33
CYP2A6 P11509 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
Hydrochloric Acid SCHEMBL6368017 0.96 APOBEC3A (0.45) APOBEC3AAPOBEC3GACHETSHRALDH1A1
SCHEMBL13432835 0.83 APOBEC3A (0.41) APOBEC3AAPOBEC3GACHETSHRALDH1A1
SCHEMBL7763343 0.81 ACHE (0.50) APOBEC3AAPOBEC3GACHETSHRALDH1A1
Bromide SCHEMBL8612061 0.78 ACHE (0.47) APOBEC3AAPOBEC3GACHETSHRALDH1A1
SCHEMBL4614269 0.78 APOBEC3A (0.38) APOBEC3AAPOBEC3GACHELMNA
Hydrochloric Acid SCHEMBL28427471 0.78 ACHE (0.47) APOBEC3AAPOBEC3GACHETSHRALDH1A1
SCHEMBL12434533 0.78 ALDH1A1 (0.43) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Water SCHEMBL5327527 0.78 ACHE (0.47) APOBEC3AAPOBEC3GACHETSHRALDH1A1
Iodide SCHEMBL11777950 0.78 ACHE (0.47) APOBEC3AAPOBEC3GACHETSHRALDH1A1
SCHEMBL16114583 0.78 ACHE (0.43) APOBEC3AAPOBEC3GACHEALDH1A1

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