SCHEMBL21653143

SCHEMBL21653143

N#Cc1sc(C(=O)Nc2ccc(=O)n(CC(F)(F)F)c2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AR P10275 5/20 0.34
▸ POLB P06746 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL21653122 0.89 ALDH1A1 (0.40) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653153 0.87 ALDH1A1 (0.36) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653160 0.87 MEN1 (0.35) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21653233 0.86 MAPT (0.39) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653255 0.86 ALDH1A1 (0.37) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL21653232 0.85 MAPT (0.34) MAPTMEN1KMT2AMAPK1AR
SCHEMBL21653277 0.79 AR (0.35) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21653151 0.76 PDE10A (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL21633869 0.75 TP53 (0.35) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21653250 0.74 ALDH1A1 (0.43) 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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