SCHEMBL8360769

SCHEMBL8360769

O=[N+]([O-])c1c(Cl)cc(Oc2ccccc2S(=O)(=O)Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.40
TBXA2R P21731 2/20 0.37
TLR8 Q9NR97 1/20 0.37
EPAS1 Q99814 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPY1R P25929 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
THRB P10828 1/20 0.35
PDE7A Q13946 1/20 0.35
VEGFA P15692 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
VCAM1 P19320 1/20 0.35

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
SCHEMBL15956628 0.78 HSPB1 (0.50) TSHRALDH1A1HPGDTLR8EPAS1
SCHEMBL4836069 0.78 HTR2A (0.49) EPAS1TRPV4CYP3A4SLC6A2SLC6A4
SCHEMBL6425430 0.77 TRPV4 (0.45) EPAS1LMNAMAPTVEGFATRPV4
SCHEMBL11126859 0.76 ALDH1A1 (0.52) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL8360646 0.75 ALDH1A1 (0.43) TSHRALDH1A1HPGDTLR8LMNA
SCHEMBL997994 0.73 CASP1 (0.48) TSHRALDH1A1LMNAMAPTTDP1
SCHEMBL8360771 0.73 MEN1 (0.39) TSHRALDH1A1HPGDTBXA2REPAS1
SCHEMBL31387938 0.73 TRPV4 (0.42) ALDH1A1HPGDLMNAMAPTTDP1
SCHEMBL7205989 0.73 TRPV4 (0.42) ALDH1A1HPGDLMNAMAPTTDP1
SCHEMBL15956859 0.72 HSPB1 (0.49) TSHRALDH1A1EPAS1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US disclosed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 EP disclosed