SCHEMBL9306552

SCHEMBL9306552

COc1ccc(S(=O)(=O)CCS)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.55
MMP13 P45452 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 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
SCHEMBL3786451 0.88 CA1 (0.55) MMP8MMP13CA1CA2MMP1
SCHEMBL3423928 0.84 CA2 (0.59) MMP8MMP13CA1CA2MMP1
SCHEMBL10670385 0.84 CA1 (0.55) MMP8MMP13CA1CA2MMP1
SCHEMBL588928 0.83 CA1 (0.61) MMP8MMP13CA1CA2MMP1
SCHEMBL11574192 0.83 CA1 (0.54) MMP8MMP13CA1CA2MMP1
SCHEMBL12062845 0.83 TSHR (0.50) MMP8MMP13GAATDP1ALDH1A1
SCHEMBL11571366 0.82 MMP8 (0.52) MMP8MMP13CA1CA2MMP1
SCHEMBL916199 0.82 CA1 (0.56) MMP8MMP13CA1CA2MMP1
SCHEMBL11322582 0.82 CA2 (0.52) MMP8MMP13CA1CA2MMP1
SCHEMBL5365664 0.82 CA1 (0.52) MMP8MMP13CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586644-A Deep black reactive dye, and preparation method and application thereof 浙江亿得新材料股份有限公司 2024-02-23 CN disclosed
CN-117551360-A Yellow dye for realizing anti-white-pulling effect, and preparation method and application thereof 浙江亿得新材料股份有限公司 2024-02-13 CN disclosed
EP-3752649-B1 PROCESS FOR THE SIMULTANEOUS TANNING AND DYEING OF COLLAGEN CONTAINING FIBROUS MATERIAL HUNTSMAN ADV MAT SWITZERLAND (CH) 2021-11-17 EP disclosed
US-5280110-A Fiber-reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed