SCHEMBL16095455

SCHEMBL16095455

N#Cc1ccnc(-c2nc[nH]c2Cc2ccc(F)c(O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.38
▸ NPY5R Q15761 7/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ HSD17B14 Q9BPX1 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ P4HB P07237 1/20 0.30

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
SCHEMBL17604615 0.85 NPY5R (0.44) NPY5RKCNH2MAPK14HRH3
SCHEMBL16100266 0.83 IDH1 (0.36) NPY5RKCNH2KDM4CHRH3
SCHEMBL16100476 0.82 MAPK14 (0.41) NPY5RKCNH2MAPK14HRH3
SCHEMBL16094947 0.81 KDM4C (0.45) KDM4CMAPK14
SCHEMBL16094914 0.80 HRH3 (0.36) NPY5RKCNH2KDM4CHRH3
SCHEMBL16095290 0.78 DYRK1A (0.40) CYP19A1KDRKDM4CMAPK14
SCHEMBL16095353 0.77 NPY5R (0.35) NPY5RKCNH2KDM4CKCNK3
SCHEMBL17604548 0.75 NPY5R (0.38) NPY5RKCNH2KDM4CHRH3
SCHEMBL16095481 0.73 KDM4C (0.57) KDM4C
SCHEMBL16095270 0.70 KDM4C (0.44) NPY5RKCNH2KDM4CKCNK3MAPK14

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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