SCHEMBL9639874

SCHEMBL9639874

Nc1ccc(N)c(OS(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 4/20 0.50
RECQL P46063 3/20 0.50
THRB P10828 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
NT5E P21589 2/20 0.39
NSD2 O96028 2/20 0.39
CASP6 P55212 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 4/20 0.38
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
Alcohol SCHEMBL27607723 0.91 ALDH1A1 (0.43) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL11138408 0.85 ALDH1A1 (0.44) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL11307622 0.84 ALDH1A1 (0.41) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL5691182 0.84 ALDH1A1 (0.46) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL7763074 0.82 CISD1 (0.41) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL11028747 0.82 GAA (0.47) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL11494107 0.81 ALDH1A1 (0.52) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL11490908 0.81 CA1 (0.50) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL8648071 0.81 ALDH1A1 (0.43) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL5690363 0.81 TSHR (0.44) ALDH1A1TSHRRECQLTHRBHSD17B10

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
EP-0297044-B1 REACTIVE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
EP-0272216-B1 COMPOSITIONS OF MATTER BASED ON TETRACHLOROISOINDOLINONE PIGMENTS CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
EP-0297044-A2 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1988-12-28 EP disclosed
EP-0272216-A2 Compositions of matter based on tetrachloroisoindolinone pigments CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
EP-0019851-B1 1:2 CHROMIUM COMPLEX DYESTUFFS OF THE AZOMETHINE AND/OR AZO SERIES, THEIR PREPARATION AND USE IN DYEING AND PRINTING POLYAMIDE OR CELLULOSE MATERIALS CIBA-GEIGY AG (CH) 1983-05-11 EP disclosed
EP-0019851-A1 1:2 Chromium complex dyestuffs of the azomethine and/or azo series, their preparation and use in dyeing and printing polyamide or cellulose materials CIBA-GEIGY AG (CH) 1980-12-10 EP disclosed