SCHEMBL9740686

SCHEMBL9740686

O=[N+]([O-])CS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPY1R P25929 1/20 0.36
NFE2L2 Q16236 2/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL9740376 0.86 TSHR (0.42) KMT2AMEN1HSP90AA1L3MBTL1MAPT
SCHEMBL9711152 0.83 HSD11B1 (0.41) HSD11B1KMT2AHSP90AA1L3MBTL1ALDH1A1
SCHEMBL9739733 0.79 HSP90AA1 (0.43) HSD11B1KMT2AMEN1HSP90AA1L3MBTL1
SCHEMBL9740023 0.78 PLCG1 (0.60) KMT2AMEN1CA12CA1CA2
SCHEMBL9652718 0.78 ALDH1A1 (0.43) HSD11B1KMT2AMEN1ALDH1A1GAA
SCHEMBL9739903 0.78 KMT2A (0.44) HSD11B1KMT2AMEN1CA1CA2
SCHEMBL9711155 0.76 ALDH1A1 (0.39) KMT2AMEN1CA1CA2CA4
SCHEMBL9740477 0.76 AKR1B1 (0.40) HSD11B1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL4247243 0.76 PLCG1 (0.56) HSD11B1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL9711252 0.76 TSHR (0.36) KMT2AMEN1L3MBTL1ALDH1A1TSHR

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