SCHEMBL10880306

SCHEMBL10880306

C=C(CBr)c1ccccc1.C=C(CCl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
GSK3B P49841 3/20 0.43
PTPN1 P18031 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15851 0.89 ALDH1A1 (0.52) MAOAMAOBGSK3BALDH1A1TRPA1
SCHEMBL250821 0.89 PTPN1 (0.52) MAOAMAOBGSK3BPTPN1MAPK1
Toluene SCHEMBL8666488 0.83 LMNA (0.46) MAOAMAOBGSK3BALDH1A1TRPA1
SCHEMBL19409831 0.83 MAOA (0.47) MAOAMAOBGSK3BALDH1A1TRPA1
SCHEMBL13963146 0.77 PTPN1 (0.59) MAOAMAOBGSK3BPTPN1ALDH1A1
SCHEMBL17819095 0.76 ALDH1A1 (0.42) MAOAMAOBGSK3BALDH1A1TRPA1
Styrene SCHEMBL1934989 0.76 ALDH1A1 (0.54) MAOAMAOBGSK3BALDH1A1TRPA1
SCHEMBL1507289 0.71 MAOA (0.48) MAOAMAOBGSK3BPTPN1ALDH1A1
SCHEMBL991358 0.71 GSK3B (0.56) MAOAMAOBGSK3BALDH1A1MAPK1
SCHEMBL810101 0.71 MAOA (0.48) MAOAMAOBGSK3BALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042804-B1 CATION-EXCHANGE MEMBRANE, PROCESS FOR MANUFACTURING IT AND ITS USE AS SOLID ELECTROLYTE COMMISSARIAT A L'ENERGIE ATOMIQUE Etablissement de Caractère Scientifique Technique et Industriel (FR) 1986-04-09 EP claimed