SCHEMBL17623352

SCHEMBL17623352

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HCAR3 P49019 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ EGFR P00533 8/20 0.34
▸ ACACB O00763 2/20 0.33
▸ PDE1B Q01064 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30

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
SCHEMBL16091163 0.80 TP53 (0.45) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16091174 0.77 TP53 (0.43) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090980 0.75 TP53 (0.42) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090970 0.75 TP53 (0.42) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623034 0.74 TP53 (0.38) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623255 0.73 TP53 (0.39) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623436 0.72 TP53 (0.40) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL16090918 0.70 TP53 (0.47) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17622955 0.70 TP53 (0.36) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17622705 0.69 KDM1A (0.44) 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 1 patent. 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
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