SCHEMBL21653126

SCHEMBL21653126

O=C(Nc1ccc(=O)n(CC(F)(F)F)c1)c1cc(Cl)c(Cl)n1CCF

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ FLT1 P17948 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.32

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
SCHEMBL21652917 0.89 MEN1 (0.41) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653107 0.86 ALDH1A1 (0.40) PTGDR2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL21652898 0.81 MAPT (0.42) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21652890 0.79 KDM4E (0.41) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653265 0.79 MEN1 (0.44) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653390 0.74 SMN1; SMN2 (0.44) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653233 0.74 MAPT (0.39) PTGDR2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL21652916 0.74 MAPT (0.47) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653268 0.72 MAPT (0.41) PTGDR2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL21653263 0.71 ALDH1A1 (0.42) MAPTALDH1A1CYP2C9CYP2C19KDM4E

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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