SCHEMBL16095691

SCHEMBL16095691

N#Cc1ccnc(-c2c[nH]c(CCCc3ccccc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.46
▸ CES1 P23141 1/20 0.46
▸ GSK3B P49841 1/20 0.40
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ CYP19A1 P11511 3/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16095066 0.79 PHF8 (0.41) LMNAKDM4CMAPK1DRD2DRD3
SCHEMBL16094928 0.79 KDM5C (0.55) FAAHGSK3BKDM4C
SCHEMBL16094923 0.78 PHF8 (0.43) LMNACYP2D6KDM4CMAPK1
SCHEMBL16095540 0.77 GRM5 (0.43) —
SCHEMBL16095234 0.77 PHF8 (0.40) GSK3BKDM4C
SCHEMBL16095150 0.76 PHF8 (0.41) CYP11B1CYP11B2CYP1A2CYP2C19CLK4
SCHEMBL16095079 0.75 ADORA2A (0.39) LMNAKDM4CMETAP2METAP1MAPK1
SCHEMBL16095040 0.75 NPY5R (0.36) PRKD1PRKD2METAP2METAP1
SCHEMBL16094887 0.75 TSHR (0.37) MAOAMAOB
SCHEMBL16095484 0.74 USP30 (0.38) PRKD1PRKD2METAP2METAP1

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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