SCHEMBL9735952

SCHEMBL9735952

CN(C)S(=O)(=O)n1cc(S(=O)(=O)N2CCc3ccccc32)nc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 6/20 0.42
PKM P14618 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9736879 0.94 L3MBTL1 (0.44) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL9735234 0.83 KMT2A (0.44) TSHRKMT2AMEN1LMNAMAPT
SCHEMBL9736151 0.79 LMNA (0.46) TSHRKMT2AMEN1ALDH1A1PKM
SCHEMBL9876240 0.76 KDM4E (0.38) TSHRALDH1A1PKMLMNAMAPT
SCHEMBL9736764 0.75 HTT (0.41) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL29015738 0.73 KMT2A (0.54) TSHRKMT2AMEN1ALDH1A1PKM
SCHEMBL9845735 0.73 GAA (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9521448 0.69 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL19990771 0.69 MEN1 (0.68) TSHRKMT2AMEN1ALDH1A1PKM
SCHEMBL19990817 0.67 L3MBTL1 (0.54) TSHRKMT2AMEN1ALDH1A1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173503-A Derivatives of N,N-dimethyl-4-phenylalkylenesulfonyl-imidazole -1-sulphonamides; phytopathogenic fungi SCHERING AGROCHEMICALS LIMITED (GB) 1992-12-22 US disclosed
EP-0432892-A1 Imidazole fungicides AgrEvo UK Limited (GB) 1991-06-19 EP disclosed