SCHEMBL8667488

SCHEMBL8667488

Nc1cc(S(=O)(=O)O)c(NC(=O)c2ccccc2)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 11/20 0.55
HDAC1 Q13547 4/20 0.55
HDAC3 O15379 3/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
CCR6 P51684 1/20 0.49
BLM P54132 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APEX1 P27695 2/20 0.48
MMP14 P50281 1/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NCOR2 Q9Y618 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.46
GRIK1 P39086 1/20 0.46

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
SCHEMBL4898797 0.88 ALDH1A1 (0.47) HDAC2HDAC1HDAC3MAPK1MEN1
SCHEMBL4903408 0.87 HSD17B10 (0.55) HDAC2HDAC1HDAC3MAPK1MEN1
SCHEMBL11597131 0.83 HCAR3 (0.56) HDAC2HDAC1HDAC3MAPK1MEN1
SCHEMBL9353760 0.82 MAPT (0.62) HDAC2HDAC1HDAC3MAPK1MEN1
SCHEMBL11409686 0.81 MAPT (0.56) HDAC2HDAC1MEN1KMT2AMAPT
SCHEMBL11411204 0.81 RAB9A (0.56) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL11596615 0.80 HCAR3 (0.56) HDAC2HDAC1HDAC3MAPK1POLB
SCHEMBL8673667 0.79 KCNK3 (0.54) MEN1KMT2AMAPTPKM
SCHEMBL7555076 0.79 KCNK3 (0.54) MEN1KMT2AMAPTPKM
SCHEMBL2893166 0.78 MDM4 (0.56) HDAC2HDAC1HDAC3MAPK1MEN1

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-5786476-A UV absorbers, their preparation and use CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-07-28 US disclosed
EP-0218131-B1 WATER SOLUBLE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP 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
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