SCHEMBL7761256

SCHEMBL7761256

N#Cc1cccc(S(=O)(=O)Cl)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
TRPV4 Q9HBA0 2/20 0.40
SLC22A12 Q96S37 7/20 0.39
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 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
SCHEMBL29184829 0.84 ALDH1A1 (0.47) ALDH1A1HTTSLC22A12HSD11B1POLB
SCHEMBL29948777 0.82 ALDH1A1 (0.58) ALDH1A1HTTTRPV4SLC22A12HSD11B1
SCHEMBL489976 0.82 ALDH1A1 (0.58) ALDH1A1HTTTRPV4SLC22A12HSD11B1
SCHEMBL2570257 0.81 SLC22A12 (0.47) ALDH1A1TRPV4SLC22A12HSD11B1
SCHEMBL8676980 0.81 ALDH1A1 (0.44) ALDH1A1HTTSLC22A12HSD11B1POLB
SCHEMBL12948968 0.81 ALDH1A1 (0.49) ALDH1A1HTTSLC22A12HSD11B1POLB
Hydrochloric Acid SCHEMBL3938103 0.80 ALDH1A1 (0.56) ALDH1A1HTTTRPV4SLC22A12HSD11B1
SCHEMBL25170432 0.79 ALDH1A1 (0.43) ALDH1A1HTTTRPV4SLC22A12HSD11B1
SCHEMBL4972108 0.79 CYP1A2 (0.43) ALDH1A1HTTTRPV4SLC22A12POLB
SCHEMBL4021944 0.79 CA1 (0.39) ALDH1A1HTTTRPV4SLC22A12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP claimed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US claimed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP claimed
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
US-5864044-A Syntheses of trisulfonated phthalocyanines and their derivatatives using boron (111) subphthalocyanines as intermediates UNIVERSITE DE SHERBROOKE (CA) 1999-01-26 US disclosed