SCHEMBL8958857

SCHEMBL8958857

Nc1cc(C(=O)c2ccccc2)ccc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
PBRM1 Q86U86 1/20 0.51
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
STS P08842 2/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SRD5A2 P31213 1/20 0.46
MAPK13 O15264 2/20 0.44

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
SCHEMBL8075701 0.82 CDC25B (0.59) TDP1L3MBTL1ALDH1A1GAAKDM4E
SCHEMBL10785305 0.78 HDAC2 (0.54) ALDH1A1GAAKDM4EPKMHPGD
SCHEMBL30874183 0.78 PBRM1 (0.62) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL144914 0.78 PBRM1 (0.62) MAPK1PBRM1ATMTDP1L3MBTL1
Benzophenone SCHEMBL27781305 0.78 PBRM1 (0.62) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL24402699 0.78 ATM (0.52) PBRM1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL1377299 0.77 CDC25B (0.56) MAPK1PBRM1TDP1L3MBTL1ALDH1A1
SCHEMBL28471630 0.77 PTK2B (0.50) MAPK1PBRM1ATMTDP1L3MBTL1
SCHEMBL11149890 0.76 ABCC9 (0.42) MAPK1L3MBTL1ALDH1A1GAAKDM4E
SCHEMBL2905678 0.75 CDC25B (0.51) MAPK1PBRM1ATMTDP1L3MBTL1

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-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5380859-A Couplers for preparing azo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0469399-B1 Aminobenzophenonesulfonic acids and their intermediates BASF AG (DE) 1994-12-14 EP disclosed
EP-0572450-B1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AG (DE) 1994-10-26 EP disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
WO-1992014791-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed