SCHEMBL22281509

SCHEMBL22281509

Cc1ccc(NC(O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.70
▸ KMT2A Q03164 10/20 0.56
▸ MEN1 O00255 9/20 0.56
▸ POLB P06746 6/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ TDP1 Q9NUW8 7/20 0.55
▸ ATM Q13315 1/20 0.55
▸ SIRT5 Q9NXA8 2/20 0.51
▸ TP53 P04637 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ GAA P10253 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ APEX1 P27695 3/20 0.44
▸ PKM P14618 2/20 0.44

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
SCHEMBL16291379 0.70 MAPT (0.62) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL16291381 0.70 MAPT (0.62) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL29518135 0.70 MAPT (0.77) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL12112134 0.70 MAPT (0.77) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL29518137 0.70 MAPT (0.77) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL19654561 0.69 KDM4E (0.61) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL2556095 0.68 LDHA (0.72) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL28372353 0.67 SIRT5 (1.00) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL12113861 0.67 GAA (0.87) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL28373468 0.66 SIRT5 (0.81) MAPTKMT2AMEN1POLBL3MBTL1

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
US-20200240995-A1 KDAC VARIANTS AND USES THEREOF MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2020-07-30 — — US disclosed
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