SCHEMBL16090970

SCHEMBL16090970

COC[C@@H](C)Nc1ncnc(N(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE1B Q01064 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL16090980 1.00 TP53 (0.42) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL17623436 0.87 TP53 (0.40) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL17622843 0.84 TP53 (0.38) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL16091163 0.81 TP53 (0.45) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL17622955 0.81 TP53 (0.36) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL16090928 0.80 TP53 (0.38) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL16091174 0.78 TP53 (0.43) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL16091185 0.77 HCAR3 (0.34) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL17623352 0.75 TP53 (0.41) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL17623255 0.71 TP53 (0.39) TP53RAB9AKDM4EMEN1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014144169-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 — — WO disclosed
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