SCHEMBL4074475

SCHEMBL4074475

[c]1ccc(C=Cc2ccc(C=Cc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
NFE2L2 Q16236 3/20 0.54
CYP19A1 P11511 2/20 0.54
MAOA P21397 2/20 0.54
RELA Q04206 3/20 0.48
TRPA1 O75762 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHAT P28329 2/20 0.44
HDAC1 Q13547 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL920604 0.97 MAOB (0.52) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL210538 0.97 MAOB (0.52) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL48799 0.97 MAOB (0.52) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL28048995 0.95 MAOB (0.50) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL28254485 0.89 ALDH1A1 (0.58) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL8029201 0.88 MAOB (0.48) MAOBNFE2L2CYP19A1MAOARELA
Styrene SCHEMBL28126887 0.86 ALDH1A1 (0.61) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL210914 0.86 MAOB (0.33) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL152100 0.86 MAOB (0.33) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL11547655 0.83 NFE2L2 (0.72) MAOBNFE2L2CYP19A1MAOARELA

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
JP-2009007274-A DIAMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR KYOCERA MITA CORP 2009-01-15 JP disclosed