SCHEMBL16094449

SCHEMBL16094449

N#Cc1ccnc(-c2nc(CC3CC3)[nH]c2Br)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ KCNH2 Q12809 7/20 0.34
▸ NPY5R Q15761 6/20 0.34
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HTR3A P46098 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL16095191 0.80 MAPK14 (0.39) MAPK14IDO1KDM1A
SCHEMBL16094741 0.80 MAPK14 (0.48) MAPK14KCNH2NPY5RKDM1A
SCHEMBL16095271 0.80 NPY5R (0.34) USP30METAP2METAP1MAPK14KCNH2
SCHEMBL16095484 0.77 USP30 (0.38) USP30METAP2METAP1KCNH2NPY5R
SCHEMBL17604545 0.76 NPY5R (0.37) USP30METAP2METAP1KCNH2NPY5R
SCHEMBL16095603 0.75 LMNA (0.38) METAP2METAP1MAPK14
SCHEMBL16095836 0.74 PHF8 (0.39) METAP2METAP1MAPK14
SCHEMBL16033744 0.70 KDM4C (0.41) USP30MAPK14KDM1A
SCHEMBL16033875 0.68 NPY5R (0.38) USP30METAP2METAP1KCNH2NPY5R
SCHEMBL29500425 0.66 NPY5R (0.45) USP30METAP2METAP1KCNH2NPY5R

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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