SCHEMBL20828450

SCHEMBL20828450

Cn1c(COc2cccc(C(F)(F)F)c2)nnc1-c1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAOB P27338 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTR2C P28335 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL30602662 0.88 L3MBTL1 (0.50) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL20832626 0.88 L3MBTL1 (0.50) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL20832811 0.84 L3MBTL1 (0.50) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL30602686 0.84 L3MBTL1 (0.50) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL20828518 0.81 L3MBTL1 (0.47) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL22623097 0.80 L3MBTL1 (0.57) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL20828440 0.79 MAOA (0.42) L3MBTL1MAOBMAOAHTR2CPPARG
SCHEMBL20832632 0.79 L3MBTL1 (0.45) L3MBTL1MAOBMAOALMNAPKM
SCHEMBL22227863 0.79 PPARG (0.48) L3MBTL1MAOBMAOALMNAHTR2C
SCHEMBL30602660 0.79 L3MBTL1 (0.45) L3MBTL1MAOBMAOALMNAPKM

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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