SCHEMBL16102462

SCHEMBL16102462

CCCCOc1cc(F)ccc1Cc1[nH]cnc1-c1cc(C#N)ccn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.38
▸ KCNH2 Q12809 6/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ KCNK3 O14649 1/20 0.36
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ MAPK14 Q16539 3/20 0.31
▸ PHF8 Q9UPP1 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK13 O15264 2/20 0.31
▸ MAPK12 P53778 2/20 0.31
▸ MAPK11 Q15759 2/20 0.31

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
SCHEMBL16095270 0.84 KDM4C (0.44) NPY5RKCNH2KDM4CKCNK3CTSS
SCHEMBL17604615 0.77 NPY5R (0.44) NPY5RKCNH2MAPK14
SCHEMBL16100476 0.74 MAPK14 (0.41) NPY5RKCNH2MAPK14
SCHEMBL16095353 0.74 NPY5R (0.35) NPY5RKCNH2KDM4CKCNK3HPGD
SCHEMBL16102461 0.74 KDM4C (0.42) NPY5RKCNH2KDM4CMAPK14PHF8
SCHEMBL16095290 0.72 DYRK1A (0.40) KDM4CMAPK14
SCHEMBL16033756 0.72 KDM4C (0.64) KDM4CPHF8
SCHEMBL17604578 0.70 KDM4C (0.40) KCNH2KDM4CPHF8
SCHEMBL17604537 0.70 KDM4C (0.40) KCNH2KDM4CPHF8ALDH1A1HPGD
SCHEMBL17604548 0.70 NPY5R (0.38) NPY5RKCNH2KDM4C

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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