SCHEMBL10692557

SCHEMBL10692557

CN(CCS(=O)(=O)O)S(=O)(=O)c1cc(Cl)c(N)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.39
GSTO1 P78417 3/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
THRB P10828 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 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
SCHEMBL11682730 0.92 ALDH1A1 (0.47) ALDH1A1L3MBTL1GSTO1CA12CA1
SCHEMBL11683056 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1GSTO1CA12CA1
SCHEMBL11518719 0.83 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA3
SCHEMBL11521525 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1GSTO1CA12CA1
SCHEMBL11681244 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL11516387 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL11517824 0.79 CA12 (0.47) ALDH1A1CA12CA1CA2CA4
SCHEMBL11518478 0.77 CA1 (0.43) ALDH1A1L3MBTL1GSTO1CA1CA2
SCHEMBL1008822 0.76 ALDH1A1 (0.79) ALDH1A1GSTO1CA12CA1CA2
SCHEMBL10692552 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
EP-0112285-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0112285-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-06-27 EP disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed
US-4060521-A POLYAMIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed