SCHEMBL8351467

SCHEMBL8351467

CCc1cc(C#N)c(NC(C)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ GAA P10253 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 4/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GRIN2C Q14957 1/20 0.36
▸ HIF1A Q16665 1/20 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
SCHEMBL12963490 0.88 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL14424854 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL13713684 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL10272924 0.81 MAPT (0.58) ALDH1A1KMT2AMEN1GAAHTT
SCHEMBL14425114 0.81 LMNA (0.46) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL10273104 0.78 ALDH1A1 (0.31) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL4088527 0.78 GAA (0.43) ALDH1A1KMT2AMEN1HSD17B10GAA
SCHEMBL2759555 0.72 MAP2K1 (0.46) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL4093729 0.71 CHEK1 (0.44) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL25370588 0.70 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1HSD17B10HTT

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-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — WO disclosed
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