SCHEMBL8604780

SCHEMBL8604780

CCc1c(S)cc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TBXA2R P21731 3/20 0.35
▸ CYP19A1 P11511 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 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
SCHEMBL8606047 0.78 NSD2 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8603093 0.74 MAPT (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8541216 0.73 TBXA2R (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL8780760 0.71 ACLY (0.33) MAPTALOX15
SCHEMBL17526121 0.71 ALDH1A1 (0.59) HTTPOLBMEN1KMT2AALDH1A1
SCHEMBL8906273 0.70 GPR35 (0.50) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL8536233 0.70 TBXA2R (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20789180 0.70 TBXA2R (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8536389 0.70 NHERF1 (0.55) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL29539120 0.70 TBXA2R (0.46) MEN1KMT2AALDH1A1MAPTHPGD

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-5854179-A Sulfur-substituted phenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-12-29 — — US disclosed
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