SCHEMBL9192027

SCHEMBL9192027

N#Cc1ccc(S(=O)(=O)c2cc[c]cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CYP19A1 P11511 2/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41
NAMPT P43490 1/20 0.40
KDM1A O60341 1/20 0.38

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
SCHEMBL8514633 0.89 CA2 (0.59) CA1CA2CA9CA12CYP19A1
SCHEMBL818508 0.82 HTR6 (0.50) MAPT
SCHEMBL161783 0.81 HTR6 (0.61) CA1CA2CA9CA12CYP19A1
SCHEMBL29337050 0.79 IDO1 (0.62) CA1CA2CA9CA12CYP19A1
SCHEMBL9192526 0.79 CA1 (0.50) CA1CA2CA9CA12CYP19A1
SCHEMBL14378095 0.79 ALDH1A1 (0.67) CA1CA2CA9CA12BCHE
SCHEMBL160164 0.79 CA1 (0.50) CA1CA2CA9CA12CYP19A1
SCHEMBL20379869 0.79 HTR6 (0.67) CA1CA2CA9CA12CYP19A1
SCHEMBL7935644 0.79 CA2 (0.67) CA1CA2CA9CA12CYP19A1
SCHEMBL29032533 0.78 CA1 (0.53) CA1CA2CA9CA12CYP19A1

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
EP-0451007-B1 Sulphonylphenyl-beta-D-thioxylosides, process for their preparation and their use in therapy FOURNIER IND & SANTE (FR) 1995-11-08 EP disclosed
EP-0451007-A1 Sulphonylphenyl-beta-D-thioxylosides, process for their preparation and their use in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1991-10-09 EP disclosed