SCHEMBL21653268

SCHEMBL21653268

O=C(Nc1ccc(=O)n(CC(F)(F)F)c1)c1cc(Cl)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ SNCA P37840 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ACR P10323 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL21653119 0.87 ALDH1A1 (0.43) MAPTCYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL21652867 0.85 ALDH1A1 (0.39) MAPTSNCAPOLBCYP2C9CYP2C19
SCHEMBL21653233 0.77 MAPT (0.39) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21652971 0.75 MEN1 (0.41) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21652881 0.74 MEN1 (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL21653107 0.74 ALDH1A1 (0.40) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21653361 0.73 MEN1 (0.40) MAPTSNCAKMT2AMEN1NPC1
SCHEMBL21653349 0.72 MEN1 (0.35) MAPTROCK1KMT2AMEN1NPC1
SCHEMBL21653126 0.72 PTGDR2 (0.39) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21653053 0.68 DAO (0.45) MAPTPOLBCYP2C9CYP2C19ALDH1A1

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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