SCHEMBL17593268

SCHEMBL17593268

O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ PHGDH O43175 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ SCN3A Q9NY46 1/20 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
SCHEMBL17593159 0.87 MAPT (0.48) MAPTGAAALDH1A1LMNATP53
SCHEMBL17593242 0.80 PHGDH (0.70) ALDH1A1LMNAGRM4POLBKDM4E
SCHEMBL26043608 0.78 TNIK (0.51) MAPTALDH1A1KMT2ABCHEACHE
SCHEMBL17593002 0.78 L3MBTL1 (0.46) MAPTGAAALDH1A1LMNAGRM4
SCHEMBL21929513 0.76 L3MBTL1 (0.55) MAPTGAAALDH1A1LMNATP53
SCHEMBL4552859 0.75 CDK1 (0.57) ALDH1A1LMNAAURKAKDRFLT3
SCHEMBL17593003 0.75 KMT2A (0.67) MAPTGAAALDH1A1LMNATP53
SCHEMBL8690975 0.74 KMT2A (0.57) MAPTPOLBMEN1KMT2A
SCHEMBL13426353 0.73 BCHE (0.56) MAPTGAAALDH1A1LMNAKDR
SCHEMBL17593165 0.72 TRIM24 (0.49) MAPTPOLBMEN1KMT2ASMN1; SMN2

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-2016040449-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2016-03-17 — — WO disclosed
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