SCHEMBL17623049

SCHEMBL17623049

COCC(C)Nc1ncnc(N2CC[C@H](S(C)(=O)=O)C2)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.36
▸ PDE2A O00408 3/20 0.36
▸ TP53 P04637 2/20 0.35
▸ ATR Q13535 2/20 0.35
▸ ATRIP Q8WXE1 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL17622705 0.77 KDM1A (0.44) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623259 0.76 TP53 (0.42) TP53KDM4EMEN1NPC1RAB9A
SCHEMBL17623034 0.75 TP53 (0.38) ACACBTP53AKT1KDM4EMEN1
SCHEMBL17622717 0.73 MAPT (0.49) KDM4EMEN1KMT2A
SCHEMBL17623014 0.73 JAK3 (0.44) ACACB
SCHEMBL16091163 0.68 TP53 (0.45) ACACBPDE2ATP53KDM4EMEN1
SCHEMBL17623352 0.65 TP53 (0.41) ACACBTP53KDM4EMEN1NPC1
SCHEMBL16091174 0.65 TP53 (0.43) ACACBTP53KDM4EMEN1NPC1
SCHEMBL16090980 0.64 TP53 (0.42) ACACBTP53KDM4EMEN1NPC1
SCHEMBL16090970 0.64 TP53 (0.42) ACACBTP53KDM4EMEN1NPC1

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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