SCHEMBL21653182

SCHEMBL21653182

CCn1cc(NC(=O)c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 2/20 0.49
▸ ENPP2 Q13822 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ KCNQ3 O43525 1/20 0.47
▸ KCNQ2 O43526 1/20 0.47
▸ KCNE1 P15382 1/20 0.47
▸ KCNQ1 P51787 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL21653177 0.88 MAPT (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653176 0.85 MEN1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653184 0.85 KCNQ3 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653190 0.84 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21652915 0.83 CREBBP (0.55) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL21653193 0.82 KCNQ3 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL21653246 0.82 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL21653073 0.80 RAB9A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653070 0.79 MEN1 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653203 0.77 SMN1; SMN2 (0.46) KMT2AMEN1RAB9ASMN1; SMN2MAPT

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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