SCHEMBL9776641

SCHEMBL9776641

Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GFER P55789 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MCL1 Q07820 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GLA P06280 1/20 0.41

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
SCHEMBL7625798 0.89 ALDH1A1 (0.41) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL11668620 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AMCL1MEN1
SCHEMBL9335332 0.82 CA2 (0.50) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL9558736 0.81 CA2 (0.41) ALDH1A1CDC25BKDM4EKMT2AMEN1
SCHEMBL6029167 0.81 HSD17B10 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6885235 0.79 CA2 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8018573 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL7628391 0.79 CA2 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL872920 0.79 CTDSP1 (0.40) ALDH1A1CDC25BCASP6KDM4EKMT2A
Sulfuric Acid SCHEMBL28447383 0.79 KDM4E (0.49) ALDH1A1CDC25BCASP6RCE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028700-A For cotton, wool, polyamide, red, violet HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US disclosed
US-5003053-A Water-soluble monoazo compounds containing a p-aminophenylamino- and chloro- or fluoro-substituted triazinylamino group and a fiber-reactive group selected from the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 — — US disclosed
US-4908436-A Reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-13 — — US disclosed
US-4902786-A Phenylazonaphthol or naphthylazonaphthol compounds containing a fibre-reactive aminophenylamino-substituted halogen-s-triazinylamino group and a fibre-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-20 — — US disclosed
US-4775746-A Water-soluble monoazo compounds containing a fiber-reactive group of the vinylsulfone series and having a sulfonaphthol coupling component with a phenylaminotriazinylamino substituent, suitable as dyestuffs HOECHST AKTIENGESELLSHAFT (DE) 1988-10-04 — — US disclosed
EP-0279351-A2 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-24 — — EP disclosed
US-4757136-A Water-soluble Azo compounds containing fiber-reactive groups and having a sulfo-naphthol coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 — — US disclosed
US-4740592-A Water-soluble azo compounds containing fiber-reactive groups and having a sulfo-naphthal coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-26 — — US disclosed
EP-0242850-A1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-28 — — EP disclosed
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