SCHEMBL11247743

SCHEMBL11247743

Nc1cc(C(F)(F)F)c(Cl)cc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.50
CA2 P00918 8/20 0.50
CA7 P43166 8/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA3 P07451 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11742668 0.86 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL11516721 0.79 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL28258774 0.79 CA2 (0.80) CA1CA2CA7CA9CA12
SCHEMBL1733790 0.79 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL30557456 0.79 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL10400528 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL9328432 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8100236 0.77 ALDH1A1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL3278453 0.76 FFAR1 (0.49) CA1CA2CA7CA9CA12
SCHEMBL28258773 0.76 CA1 (0.80) CA1CA2CA7CA9CA12

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
US-4340430-A Azo pigments, process for their production and their use CIBA-GEIGY CORPORATION (US) 1982-07-20 US disclosed
EP-0024261-A1 Azo pigments and process for their preparation, and their use CIBA-GEIGY AG (CH) 1981-02-25 EP disclosed