SCHEMBL21652973

SCHEMBL21652973

CCn1cc(NC(=O)c2coc(Br)n2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 2/20 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
SCHEMBL21653155 0.77 ALDH1A1 (0.41) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL21652861 0.77 ALDH1A1 (0.41) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL21653121 0.75 RAB9A (0.53) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL21652976 0.75 GRM5 (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL21653262 0.75 ALDH1A1 (0.40) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL21653267 0.74 ALDH1A1 (0.41) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL21653063 0.73 RAB9A (0.46) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL21653182 0.73 KMT2A (0.52) KMT2AMEN1MAPTKDM4ECA12
SCHEMBL21653203 0.72 SMN1; SMN2 (0.46) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL21653177 0.72 MAPT (0.46) KMT2AMEN1MAPTKDM4EALDH1A1

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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