SCHEMBL9762303

SCHEMBL9762303

CC(C)N(N)C(=O)Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.51
CA2 P00918 11/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
CA7 P43166 5/20 0.45
CA14 Q9ULX7 5/20 0.45
TIMP3 P35625 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL28025690 0.80 MTOR (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL10802222 0.75 TSHR (0.47) CA1CA2CA12CA9TIMP3
SCHEMBL10869900 0.73 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL1102016 0.73 CA1 (0.69) CA1CA2CA12CA9CA7
SCHEMBL3893567 0.73 CA1 (0.59) CA1CA2CA12CA9TIMP3
SCHEMBL10797653 0.73 CA1 (0.60) CA1CA2CA12CA9CA7
SCHEMBL10797273 0.73 CA12 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL11520164 0.72 MAPT (0.62) CA1CA2CA12CA9CA7
SCHEMBL10049715 0.72 CA1 (0.53) CA1CA2CA12CA9CA7
SCHEMBL9812449 0.72 RAB9A (0.51) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003052-A Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
US-4703112-A COLOR FASTNESS, ACID RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-27 US disclosed
EP-0208655-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1987-01-14 EP disclosed
EP-0181585-A2 Fibre-reactive monoazo compounds, process for their preparation and their dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-21 EP disclosed
EP-0073481-B1 WATER-SOLUBLE AZO COMPOUNDS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-30 EP disclosed
EP-0073481-A2 Water-soluble azo compounds, process for their manufacture and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-09 EP disclosed