SCHEMBL7766596

SCHEMBL7766596

O=C1NC(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
ADK P55263 1/20 0.52
CHEK1 O14757 4/20 0.50
WEE1 P30291 4/20 0.50
GSK3B P49841 2/20 0.48
MEN1 O00255 1/20 0.45
PRKD3 O94806 1/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
PRKCA P17252 1/20 0.45
PRKACA P17612 1/20 0.45
CCNA2 P20248 1/20 0.45
PRKACG P22612 1/20 0.45

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
SCHEMBL21246791 0.87 MAOA (0.45) MAPTLMNAHTTADKCHEK1
SCHEMBL30753519 0.81 CHEK1 (0.52) MAPTLMNAHTTADKCHEK1
SCHEMBL9736741 0.81 WEE1 (0.43) MAPTLMNAHTTADKCHEK1
SCHEMBL8429414 0.78 GSK3B (0.61) MAPTLMNAHTTADKGSK3B
SCHEMBL6422263 0.78 KDM4E (0.54) MAPTLMNAHTTADKGSK3B
SCHEMBL216526 0.76 ALDH1A1 (0.67) MAPTLMNAHTTCHEK1MEN1
SCHEMBL114611 0.76 PTGS2 (0.67) GSK3BPTGS2
SCHEMBL7806624 0.75 PARP1 (0.47) MAPTLMNAHTTADKCHEK1
SCHEMBL28148276 0.75 GSK3B (0.45) MAPTLMNAHTTADKCHEK1
SCHEMBL135332 0.75 GSK3B (0.56) MAPTLMNAADKCHEK1WEE1

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
CN-105237344-B A kind of method of coproducing methyl benzoic acid, tolyl aldehyde and methylbenzyl alcohol 江西科苑生物药业有限公司 2017-06-23 CN claimed
CN-105237317-B Combined production method for substituted benzaldehyde, substituted benzyl alcohol and substituted benzoic acid 江西科苑生物药业有限公司 2017-05-10 CN claimed
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 WO disclosed