SCHEMBL16094947

SCHEMBL16094947

N#Cc1ccnc(-c2nc[nH]c2Cc2ccc(F)c(OCc3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.45
▸ CTSS P25774 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ PPIA P62937 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ PTGER1 P34995 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 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
SCHEMBL16095481 0.89 KDM4C (0.57) KDM4CCTSSFNTAFNTBPGGT1B
SCHEMBL16095270 0.84 KDM4C (0.44) KDM4CCTSSPPIAMAOBPTGER1
SCHEMBL16095455 0.81 CYP19A1 (0.38) KDM4CMAPK14
SCHEMBL16100476 0.81 MAPK14 (0.41) MAPK14GABRG2GABRB3GABRA5GABRA3
SCHEMBL17604615 0.79 NPY5R (0.44) MAPK14
SCHEMBL16095534 0.79 KDM4C (0.62) KDM4CMRGPRX4
SCHEMBL16100266 0.77 IDH1 (0.36) KDM4CCTSSMAOB
SCHEMBL16095353 0.76 NPY5R (0.35) KDM4C
SCHEMBL16095290 0.74 DYRK1A (0.40) KDM4CMAOBMAPK14
SCHEMBL16094914 0.74 HRH3 (0.36) KDM4C

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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