SCHEMBL7758710

SCHEMBL7758710

Nc1cccc2ccc(OS(=O)(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CASP6 P55212 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TDP2 O95551 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLK1 P06870 1/20 0.46
PRSS1 P07477 1/20 0.46
GAA P10253 3/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL7755613 0.87 CA1 (0.45) ALDH1A1TDP1L3MBTL1CASP6KDM4E
SCHEMBL7717478 0.84 CA1 (0.45) ALDH1A1TDP1L3MBTL1CASP6KDM4E
Sulfuric Acid SCHEMBL9250308 0.83 MTNR1A (0.55) ALDH1A1TDP1L3MBTL1CASP6KDM4E
SCHEMBL11121697 0.82 GAA (0.46) ALDH1A1TDP1L3MBTL1CASP6MEN1
SCHEMBL15903703 0.81 GAA (0.49) ALDH1A1TDP1L3MBTL1MAPTGAA
SCHEMBL7358534 0.81 HTR1A (0.44) ALDH1A1TDP1L3MBTL1CASP6KDM4E
SCHEMBL30380710 0.81 HTR1A (0.44) ALDH1A1TDP1L3MBTL1CASP6KDM4E
Sulfuric Acid SCHEMBL9480703 0.79 MTNR1A (0.51) ALDH1A1TDP1L3MBTL1CASP6KDM4E
SCHEMBL1593352 0.77 CA1 (0.66) TDP1L3MBTL1MEN1MAPTKMT2A
SCHEMBL29669681 0.77 CA1 (0.66) TDP1L3MBTL1MEN1MAPTKMT2A

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
EP-0692523-B1 Azo dyestuffs, their preparation and use BAYER AG (DE) 2001-09-05 EP disclosed
EP-0669380-B1 Process for the preparation of azo dyes CIBA SC HOLDING AG (CH) 2001-03-28 EP disclosed
EP-0692523-A1 Azo dyestuffs, their preparation and use BAYER AG (DE) 1996-01-17 EP disclosed
EP-0669380-A2 Process for the preparation of azo dyes CIBA-GEIGY AG (CH) 1995-08-30 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0037509-A1 Process for the preparation of 1-naphthylamine-4,7-disulfonic acid BAYER AG (DE) 1981-10-14 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 EP disclosed