SCHEMBL16102461

SCHEMBL16102461

CCCCOc1cc(F)ccc1-c1[nH]c(C)nc1-c1cc(C#N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.42
▸ NPY5R Q15761 7/20 0.38
▸ KCNH2 Q12809 6/20 0.38
▸ GCGR P47871 3/20 0.37
▸ MAPK14 Q16539 8/20 0.36
▸ MAPK13 O15264 4/20 0.36
▸ MAPK12 P53778 4/20 0.36
▸ MAPK11 Q15759 4/20 0.36
▸ PHF8 Q9UPP1 1/20 0.36
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL16095268 0.85 KDM4C (0.45) KDM4CMAPK14GRIN1GRIN2B
SCHEMBL16102665 0.79 KDM4C (0.68) KDM4CGCGRMAPK14MAPK13MAPK12
SCHEMBL16033756 0.78 KDM4C (0.64) KDM4CPHF8
SCHEMBL17604614 0.77 MAPK14 (0.46) NPY5RKCNH2GCGRMAPK14MAPK13
SCHEMBL16102462 0.74 NPY5R (0.38) KDM4CNPY5RKCNH2MAPK14MAPK13
SCHEMBL17604576 0.72 KDM4C (0.47) KDM4CKCNH2MAPK14PHF8GRIN2B
SCHEMBL16095288 0.71 KMT2A (0.43) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL17604535 0.71 KDM4C (0.46) KDM4CKCNH2MAPK14PHF8GRIN1
SCHEMBL16095596 0.70 KDM4C (0.65) KDM4CMAPK14PHF8
SCHEMBL16095454 0.69 MAPK14 (0.41) KDM4CNPY5RKCNH2GCGRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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