SCHEMBL9177474

SCHEMBL9177474

Nc1ccc(CCS(=O)(=O)CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
GFER P55789 1/20 0.48
CA2 P00918 7/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
CA4 P22748 2/20 0.44
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL11281060 0.90 RECQL (0.69) RECQLGFERCA2CA12CA1
SCHEMBL1202589 0.82 RECQL (0.46) RECQLGFERCA2CA12CA1
SCHEMBL9180265 0.80 CA2 (0.58) GFERCA2CA12CA1CA7
SCHEMBL10765545 0.80 RECQL (0.62) RECQLGFERCA2CA12CA1
SCHEMBL10626236 0.79 MAOA (0.50) RECQLCA2CA12CA1CA9
SCHEMBL8019359 0.79 RECQL (0.51) RECQLGFERCA2CA12CA1
Aniline SCHEMBL28683241 0.78 TSHR (0.48) CA2CA1CA5ACA9MAOB
SCHEMBL8899345 0.78 RECQL (0.64) RECQLGFERCA2CA12CA1
SCHEMBL11291036 0.76 MAOB (0.57) RECQLGFERCA2CA12CA1
SCHEMBL2044233 0.75 RECQL (0.67) RECQLGFERCA2CA12CA1

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-5420256-A 2-amino-4-phenylamino-1,3,5-triazinyl reactive dyestuffs, process for their preparation and their use dye cellulose or polyamides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
EP-0501252-A1 Bifuntional reactive alges BAYER AG (DE) 1992-09-02 EP disclosed
EP-0279122-B1 REACTIVE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-10 EP disclosed
EP-0279122-A2 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP disclosed
US-4745187-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
US-4237050-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed