SCHEMBL16267599

SCHEMBL16267599

CCOc1c(C#N)c(=O)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL11162256 0.85 ALPL (0.44) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL15842906 0.82 CYP2C9 (0.50) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL29072186 0.79 KDM4E (0.54) MAPTKDM4EKMT2AALDH1A1CYP1A2
SCHEMBL29926029 0.79 KDM4E (0.46) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4960133 0.78 SQOR (0.43) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL15842675 0.78 CYP2C9 (0.55) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL15842594 0.78 CYP2C9 (0.57) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL15842754 0.76 KDM4E (0.54) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL9956829 0.76 KDM4E (0.50) MAPTKDM4EKMT2AALDH1A1GAA
Phosphoric Acid SCHEMBL27573615 0.75 KDM4E (0.47) MAPTKDM4EKMT2AALDH1A1CYP1A2

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
WO-2014194285-A1 QUASSINOID AND COUMARIN COMPOUNDS FOR CANCER PREVENTION THE UNIVERSITY OF THE WEST INDIES, a regional institution established by ROYAL CHARTER (JM) 2014-12-04 — — WO disclosed
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