SCHEMBL21740018

SCHEMBL21740018

CC(C)N1CCN(CI)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 1/20 0.36
▸ PIK3CD O00329 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ VCP P55072 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ MAOB P27338 2/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL10130720 0.82 AOC2 (0.37) AOC2PIK3CDALDH1A1GAATHRB
SCHEMBL22387991 0.81 PIK3CD (0.53) AOC2PIK3CDALDH1A1GAATHRB
SCHEMBL24300045 0.79 AOC2 (0.36) AOC2PIK3CDL3MBTL1VCPDAO
SCHEMBL29344874 0.78 AOC2 (0.37) AOC2PIK3CDVCPDAOKCNH2
SCHEMBL21124357 0.77 AOC2 (0.34) AOC2PIK3CDVCP
SCHEMBL10250897 0.77 LMNA (0.39) AOC2ALDH1A1KCNH2HRH3
SCHEMBL10250697 0.75 TSHR (0.50) AOC2PIK3CDKCNH2HRH3
SCHEMBL23108919 0.75 KDM4E (0.34) AOC2PIK3CDALDH1A1VCPDAO
SCHEMBL10250701 0.75 AOC2 (0.46) AOC2PIK3CDGAA
SCHEMBL23060215 0.74 AOC2 (0.35) AOC2PIK3CDVCPDAOKCNH2

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-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 — — WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 — — WO disclosed
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