SCHEMBL16095263

SCHEMBL16095263

N#Cc1ccnc(-c2c[nH]c(Cc3ccccc3OC(F)(F)F)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 2/20 0.39
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 3/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38
▸ PDE9A O76083 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ NPY5R Q15761 7/20 0.36
▸ KCNH2 Q12809 6/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ CYP2D6 P10635 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL16095164 0.90 HCRTR1 (0.40) PHF8HCRTR1HCRTR2KDM4CNPY5R
SCHEMBL16095874 0.83 KDM2B (0.39) KDM4CNPY5RKCNH2KDM2BCYP2D6
SCHEMBL16095079 0.81 ADORA2A (0.39) PHF8KDM4CNPY5RMAPK1
SCHEMBL16095102 0.79 PHF8 (0.41) PHF8KDM4CNPY5R
SCHEMBL16094315 0.78 KDM4C (0.65) PHF8KDM4CKDM2B
SCHEMBL16095234 0.77 PHF8 (0.40) PHF8KDM4CKDM2B
SCHEMBL16095813 0.77 PHF8 (0.39) PHF8KDM4CNPY5RMAPK1
SCHEMBL16095040 0.77 NPY5R (0.36) HCRTR1HCRTR2NPY5RKCNH2
SCHEMBL16095150 0.76 PHF8 (0.41) PHF8HCRTR1HCRTR2KDM4CNPY5R
SCHEMBL16033687 0.75 KDM4C (0.61) PHF8HCRTR1HCRTR2KDM4CKDM2B

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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