SCHEMBL21101519

SCHEMBL21101519

C/C=C\C=C/C1Cc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 6/20 0.37
MAOB P27338 6/20 0.37
AOC2 O75106 5/20 0.37
DAO P14920 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL434337 0.80 MAOA (0.41) MAOAMAOBAOC2DAOCHRM2
SCHEMBL9113367 0.77 HRH3 (0.40) KDM4EMAOAMAOBAOC2DAO
SCHEMBL334480 0.73 HRH3 (0.49) KDM4EMAOAMAOBAOC2DAO
SCHEMBL6209606 0.73 MAOB (0.41) KDM4EMAOAMAOBAOC2DAO
SCHEMBL12060988 0.73 HRH3 (0.49) KDM4EMAOAMAOBAOC2DAO
SCHEMBL28842254 0.73 MAOB (0.49) KDM4EMAOAMAOBAOC2DAO
SCHEMBL451210 0.73 MAOB (0.41) KDM4EMAOAMAOBAOC2DAO
SCHEMBL30142986 0.73 HRH3 (0.49) KDM4EMAOAMAOBAOC2DAO
SCHEMBL10508395 0.72 MAOA (0.42) MAOAMAOBAOC2DAOCHRM2
SCHEMBL27651808 0.72 MAOB (0.41) KDM4EMAOAMAOBAOC2DAO

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-2993215-B1 Azabenzimidazo[2,1-a]benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2019-06-19 EP disclosed