SCHEMBL16091163

SCHEMBL16091163

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ PDE1B Q01064 5/20 0.34
▸ ACACB O00763 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ EGFR P00533 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ PDE1A P54750 3/20 0.32
▸ PDE1C Q14123 3/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL17623220 0.87 TP53 (0.36) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16091174 0.83 TP53 (0.43) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090970 0.81 TP53 (0.42) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090980 0.81 TP53 (0.42) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623352 0.80 TP53 (0.41) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17622723 0.79 AURKA (0.43) TP53ALDH1A1EGFRSMN1; SMN2
SCHEMBL17623436 0.78 TP53 (0.40) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090166 0.76 LMNA (0.43) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623255 0.76 TP53 (0.39) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090918 0.75 TP53 (0.47) TP53KDM4EMEN1NPC1RAB9A

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
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
WO-2014144169-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 — — WO disclosed
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