SCHEMBL9179379

SCHEMBL9179379

Nc1cc(Cl)c(S(=O)(=O)CCO)cc1S(=O)(=O)CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.53
▸ CA1 P00915 5/20 0.52
▸ CA4 P22748 5/20 0.52
▸ CA12 O43570 4/20 0.52
▸ CA6 P23280 4/20 0.52
▸ CA5A P35218 4/20 0.52
▸ CA7 P43166 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ CA5B Q9Y2D0 4/20 0.52
▸ CA3 P07451 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.46
▸ CA13 Q8N1Q1 3/20 0.40
▸ CCR2 P41597 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL11122869 0.89 CA2 (0.49) CA2CA1CA4CA12CA6
SCHEMBL9497725 0.81 GAA (0.49) CA2CA1CA4CA12CA6
SCHEMBL9558895 0.80 CA2 (0.46) CA2CA1CA4CA12CA6
SCHEMBL10688293 0.79 CA2 (0.49) CA2CA1CA4CA12CA6
SCHEMBL10913509 0.79 CA2 (0.40) CA2CA1CA4CA12CA6
SCHEMBL10891043 0.79 CA2 (0.53) CA2CA1CA4CA12CA6
SCHEMBL9357527 0.77 CA2 (0.47) CA2CA1CA4CA12CA6
SCHEMBL9558910 0.77 CA2 (0.45) CA2CA1CA4CA12CA6
SCHEMBL10897152 0.76 CA2 (0.50) CA2CA1CA4CA12CA6
SCHEMBL9179611 0.75 CA2 (0.53) CA2CA1CA4CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463031-A Printing, dyeing cellulose and organonitrogen compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 — — US disclosed
EP-0345577-B1 Reactive dyes BAYER AG (DE) 1993-12-08 — — EP disclosed
US-5233026-A For cold, pad-batch process; color and washfastness CIBA-GEIGY CORPORATION (US) 1993-08-03 — — US disclosed
EP-0261079-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 — — EP disclosed
US-5047514-A Bireactive primary disazo dyes containing 1-amino-8-hydroxynaphthalene-3,6 Disulfonic acid as coupling component CIBA-GEIGY CORPORATION (US) 1991-09-10 — — US disclosed
US-4996304-A For low temperature dyeing and printing of cellulose fibers; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-26 — — US disclosed
US-4935501-A COLORFASTNESS; REDS, ORANGES, YELLOWS; DYEING CELLULOSE FIBERS AT LOW TEMPERATURES CIBA-GEIGY CORPORATION (US) 1990-06-19 — — US disclosed
US-4845203-A FOR CELLULOSE FIBERS CIBA-GEIGY CORPORATION (US) 1989-07-04 — — US disclosed
US-4766206-A Reactive dyestuffs comprising a vinylsulfonylalkylaminocarbonyl moiety CIBA-GEIGY CORPORATION (US) 1988-08-23 — — US disclosed
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 — — US disclosed
US-4746732-A COTTON AND WOOL CIBA-GEIGY CORPORATION (US) 1988-05-24 — — US disclosed
US-4713082-A Process for dyeing or printing textile fibre materials with reactive dye containing vinyl sulfonyl-type group and chloro-triazinyl amino group CIBA-GEIGY CORPORATION (US) 1987-12-15 — — US disclosed
US-4585460-A COTTON CIBA-GEIGY CORPORATION (US) 1986-04-29 — — US disclosed
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