SCHEMBL9740858

SCHEMBL9740858

O=[N+]([O-])CSc1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.42
USP47 Q96K76 1/20 0.40
TDP1 Q9NUW8 4/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE7A Q13946 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PNMT P11086 1/20 0.34
AKT1 P31749 1/20 0.34
HTR7 P34969 2/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL9739624 0.85 LMNA (0.46) USP7TDP1KMT2ALMNANPSR1
SCHEMBL9711273 0.83 KMT2A (0.37) USP7USP47TDP1KMT2ALMNA
SCHEMBL9711236 0.83 TDP1 (0.40) USP7USP47TDP1KMT2ALMNA
SCHEMBL9711235 0.72 PDE7A (0.38) TDP1KMT2ALMNAALDH1A1MAPT
SCHEMBL9711196 0.71 ALDH1A1 (0.40) TDP1KMT2AALDH1A1MAPTMEN1
SCHEMBL10980816 0.71 PNMT (0.40) TDP1KMT2ANPSR1MAPTMEN1
SCHEMBL9740256 0.70 SMN1; SMN2 (0.40) TDP1KMT2ALMNANPSR1ALDH1A1
SCHEMBL8746025 0.70 MAPT (0.37) TDP1KMT2ALMNANPSR1ALDH1A1
SCHEMBL6243529 0.69 CYP1A2 (0.53) TDP1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL1341250 0.69 PDE7A (0.58) USP7USP47TDP1LMNAMAPT

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-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed