SCHEMBL29133980

SCHEMBL29133980

COC(=O)c1nccnc1N(C)[SH](=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 6/20 0.37
KDM4C Q9H3R0 2/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL29133916 0.77 KMT2A (0.45) L3MBTL1NPSR1KDM4EALDH1A1HPGD
SCHEMBL71518 0.77 NPSR1 (0.59) L3MBTL1NPSR1KDM4EKDM4CSTAT3
SCHEMBL360639 0.74 NPSR1 (0.50) L3MBTL1NPSR1KDM4EKDM4CSTAT3
SCHEMBL29409978 0.74 NPSR1 (0.50) L3MBTL1NPSR1KDM4EKDM4CSTAT3
SCHEMBL13482134 0.72 TMPRSS15 (0.41) L3MBTL1NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL23888774 0.72 NPSR1 (0.48) L3MBTL1NPSR1KDM4EKDM4CSTAT3
SCHEMBL9632764 0.71 NPSR1 (0.52) L3MBTL1NPSR1KDM4EKDM4CSTAT3
SCHEMBL13482930 0.71 FFAR4 (0.41) L3MBTL1NPSR1KDM4ETSHRSMN1; SMN2
SCHEMBL1761087 0.71 L3MBTL1 (0.38) L3MBTL1NPSR1KDM4EALDH1A1MAPK1
SCHEMBL27908592 0.70 L3MBTL1 (0.40) L3MBTL1NPSR1KDM4EALDH1A1HPGD

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
CN-117043163-A Pyrrolopyrimidine or pyrrolopyridine derivative and medical application thereof 希格生科(深圳)有限公司 2023-11-10 CN disclosed