SCHEMBL27615591

SCHEMBL27615591

NC(=O)Oc1ccc(-c2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.63
MKNK2 Q9HBH9 11/20 0.63
CYP3A4 P08684 2/20 0.50
CYP2A6 P11509 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KIF11 P52732 1/20 0.50
PORCN Q9H237 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL2216123 0.83 NPC1 (0.67) MKNK1MKNK2CYP3A4CYP2A6ALDH1A1
SCHEMBL1348239 0.83 MKNK1 (0.56) MKNK1MKNK2CYP3A4CYP2A6ALDH1A1
SCHEMBL4630925 0.80 KIF11 (0.62) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29786195 0.80 KMT2A (0.55) MKNK1MKNK2ALDH1A1CYP1A2CYP2C9
SCHEMBL283911 0.80 KMT2A (0.55) MKNK1MKNK2ALDH1A1CYP1A2CYP2C9
SCHEMBL1955422 0.80 KIF11 (0.61) CYP1A2CA1CA2CA9CYP2C9
SCHEMBL4645134 0.80 MKNK1 (0.58) MKNK1MKNK2CYP3A4CYP2A6ALDH1A1
SCHEMBL21312877 0.79 MKNK1 (0.50) MKNK1MKNK2CYP3A4CA12CA1
SCHEMBL30855339 0.77 MKNK1 (1.00) MKNK1MKNK2CYP3A4CYP2A6ALDH1A1
SCHEMBL606654 0.77 MKNK1 (1.00) MKNK1MKNK2CYP3A4CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869658-B modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-02 CN disclosed
CN-101595102-B Diaryl ether urea compounds PFIZER PROD INC 2013-08-07 CN disclosed
CN-101146786-B Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
CN-102869658-A Modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV 2013-01-09 CN disclosed
CN-101595102-A Diaryl ether urea compounds PFIZER PROD INC (US) 2009-12-02 CN disclosed
CN-101426791-A Purine derivatives having activity at the adenosine A2A receptor NOVARTIS AG (CH) 2009-05-06 CN disclosed
CN-101146786-A Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 CN disclosed
CN-1638761-A Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2005-07-13 CN disclosed