SCHEMBL157161

SCHEMBL157161

CCc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.49
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 4/20 0.47
GAA P10253 4/20 0.47
RECQL P46063 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CASP6 P55212 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ELAVL1 Q15717 1/20 0.47
HSD17B10 Q99714 5/20 0.47
NSD2 O96028 2/20 0.46
APEX1 P27695 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 4/20 0.42
NT5E P21589 3/20 0.42

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
SCHEMBL10799496 0.87 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL9628291 0.86 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL29963180 0.86 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL29399463 0.86 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL6427620 0.86 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL155726 0.85 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL7718118 0.85 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL
Ammonia Solution, Strong SCHEMBL7550166 0.85 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL26895312 0.85 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL155283 0.84 RAPGEF4 (0.43) RAPGEF4ALDH1A1TDP1GAARECQL

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
CN-111511984-B Optical brightening agent for whitening paper 昂高知识产权有限公司 2022-12-30 CN disclosed
CN-111511984-A Optical brightening agent for whitening paper 昂高知识产权有限公司 2020-08-07 CN disclosed
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed
US-5241056-A REACTIVE MONOAZO DYESTUFFS WHICH CONTAIN ALKYLBENZENE AND CHLOROFLUORO PYRIMIDINE SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0513617-A1 Reactive dyes BAYER AG (DE) 1992-11-19 EP disclosed
US-4810302-A STORAGE STABLE MIXTURES TOYO INK MANUFACTURING CO., LTD. (JP) 1989-03-07 US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed