SCHEMBL16095271

SCHEMBL16095271

N#Cc1ccnc(-c2nc(CC(F)(F)F)[nH]c2Br)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 9/20 0.34
▸ KCNH2 Q12809 5/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ TGFBR1 P36897 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
SCHEMBL16095224 0.81 MAPK14 (0.48) NPY5RKCNH2MAPK14
SCHEMBL16094449 0.80 USP30 (0.36) NPY5RKCNH2MAPK14METAP2METAP1
SCHEMBL17604545 0.77 NPY5R (0.37) NPY5RKCNH2METAP2METAP1USP30
SCHEMBL16095040 0.76 NPY5R (0.36) NPY5RKCNH2METAP2METAP1USP30
SCHEMBL16095603 0.76 LMNA (0.38) MAPK14METAP2METAP1KDM4CTGFBR1
SCHEMBL16095836 0.75 PHF8 (0.39) MAPK14METAP2METAP1KDM4C
SCHEMBL16034550 0.69 KDM4C (0.39) NPY5RKCNH2MAPK14KDM4CTGFBR1
SCHEMBL16033875 0.69 NPY5R (0.38) NPY5RKCNH2METAP2METAP1USP30
SCHEMBL9792784 0.66 NPY5R (0.45) NPY5RKCNH2METAP2METAP1USP30
SCHEMBL29500425 0.66 NPY5R (0.45) NPY5RKCNH2METAP2METAP1USP30

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
Send feedback