SCHEMBL9397362

SCHEMBL9397362

Cc1cc(S(=O)(=O)O)c(N)c(S(=O)(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
KDM4E B2RXH2 5/20 0.64
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
ELAVL1 Q15717 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SUMO2 P61956 2/20 0.39
SUMO1 P63165 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP2 Q9HC62 2/20 0.39
SENP1 Q9P0U3 2/20 0.39
SENP3 Q9H4L4 1/20 0.39
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 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
SCHEMBL1364945 0.89 KDM4E (0.52) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL29633914 0.89 KDM4E (0.52) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL29239042 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL7822498 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL9155463 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL9166477 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL7795594 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL31737506 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL8500961 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL11038082 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300633-A Lightfast, washfast HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0513657-A2 Water-soluble azo compounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP disclosed
US-4798887-A Azo dyes of methylaniline disulfonic acid coupled with naphthylamine sulfonic acid BASF AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed