SCHEMBL17593159

SCHEMBL17593159

O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cc(-c2ccccc2O)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ TP53 P04637 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ IDE P14735 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL17593268 0.87 MAPT (0.51) MAPTGAATP53POLBMEN1
SCHEMBL29057737 0.79 KMT2A (0.54) MAPTTP53POLBMEN1KMT2A
SCHEMBL15503777 0.76 KMT2A (0.67) MAPTGAAPOLBMEN1KMT2A
SCHEMBL18499238 0.75 MEN1 (0.54) MAPTGAAMEN1KMT2ALMNA
SCHEMBL17593148 0.74 ADRB2 (0.44) MAPTPOLBMEN1KMT2ATSHR
SCHEMBL17593003 0.73 KMT2A (0.67) MAPTGAATP53MEN1KMT2A
SCHEMBL17593267 0.69 L3MBTL1 (0.57) MAPTTP53POLBMEN1KMT2A
SCHEMBL27181366 0.69 GRM4 (0.74) MAPTGAAPOLBMEN1KMT2A
SCHEMBL30926458 0.69 GRM4 (0.74) MAPTGAAPOLBMEN1KMT2A
SCHEMBL30926785 0.68 GAA (0.74) MAPTGAAPOLBMEN1KMT2A

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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