SCHEMBL9770538

SCHEMBL9770538

CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
KMT2A Q03164 8/20 0.67
ALDH1A1 P00352 7/20 0.67
CASP6 P55212 2/20 0.67
GAA P10253 5/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 6/20 0.51
TDP1 Q9NUW8 5/20 0.45
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MEN1 O00255 6/20 0.44
HTT P42858 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL29677237 1.00 MAPT (0.67) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL18267342 0.80 MAPT (0.81) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL9770298 0.79 MAPT (0.48) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL11501543 0.76 MAPT (0.59) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL8072508 0.76 MAPT (0.74) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL8990089 0.73 ALDH1A1 (0.39) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL9770328 0.73 MAPT (0.66) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL10594920 0.70 MAPT (0.57) MAPTKMT2AALDH1A1CASP6GAA
SCHEMBL28611890 0.69 ALDH1A1 (0.36) MAPTKMT2AALDH1A1CASP6
SCHEMBL29851934 0.69 MAPT (0.60) MAPTKMT2AALDH1A1CASP6GAA

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-5001220-A Pyrazolone substituted copolyarylene sulfide BAYER AG (DE) 1991-03-19 US disclosed
EP-0219232-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 EP disclosed
EP-0332966-A1 High-molecular, optionally branched-chain co-polyarylene sulphides, their production and their use BAYER AG (DE) 1989-09-20 EP disclosed
US-4772323-A IMPROVED STORAGE AND EJECTION STABILITY CANON KABUSHIKI KAISHA (JP) 1988-09-20 US disclosed
US-4758658-A Water-soluble formazan dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-19 US disclosed
EP-0219232-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-22 EP disclosed