SCHEMBL9761888

SCHEMBL9761888

Cc1ccc(S(=O)(=O)NC2(S(=O)(=O)O)C=CC=CC2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
KCNH2 Q12809 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
SCHEMBL7467674 0.62 GAA (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL7467668 0.62 GAA (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL5502460 0.62
SCHEMBL27562832 0.62 CYP2D6 (0.54) CA1CA2MMP2MMP1MMP9
SCHEMBL7768283 0.62
SCHEMBL17135015 0.60 CYP2D6 (0.53) CA1CA2MMP2MMP1MMP9
SCHEMBL11357443 0.60 PARG (0.55) CA1CA2MMP2MMP1MMP9
SCHEMBL3415169 0.60 SMN1; SMN2 (0.51) CA1CA2MMP2MMP1MMP9
Tosylchloramide SCHEMBL5854126 0.60 GAA (0.64) CA1CA2MMP2MMP1MMP9
Tosylchloramide SCHEMBL43534 0.60 GAA (0.64) CA1CA2MMP2MMP1MMP9

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-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