SCHEMBL7517671

SCHEMBL7517671

C=C(C)C(=O)Nc1ccc(S(=O)(=O)O)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 1/20 0.44
ENPP2 Q13822 2/20 0.42
BAZ1A Q9NRL2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CDK1 P06493 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASP6 P55212 1/20 0.37
KMT2A Q03164 1/20 0.37
ELAVL1 Q15717 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL7514937 0.85 NT5E (0.38) TDP1POLBL3MBTL1RECQLENPP2
SCHEMBL7510427 0.85 RAPGEF4 (0.37) TDP1POLBL3MBTL1RECQLENPP2
SCHEMBL1755227 0.84 ENPP2 (0.56) TDP1L3MBTL1ENPP2ALDH1A1CDK1
SCHEMBL10803184 0.84 GPR35 (0.37) TDP1POLBL3MBTL1RECQLENPP2
SCHEMBL20976089 0.84 TDP1 (0.50) TDP1RXFP1POLBL3MBTL1RECQL
SCHEMBL2543456 0.84 ALDH1A1 (0.55) TDP1RXFP1POLBL3MBTL1RECQL
SCHEMBL11340190 0.83 GPR35 (0.49) TDP1POLBL3MBTL1RECQLENPP2
SCHEMBL7050762 0.83 ENPP2 (0.55) TDP1L3MBTL1ENPP2ALDH1A1CDK1
Water SCHEMBL26111069 0.83 ENPP2 (0.55) TDP1L3MBTL1ENPP2ALDH1A1CDK1
SCHEMBL16977408 0.82 TDP1 (0.50) TDP1RXFP1POLBL3MBTL1RECQL

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
EP-0699719-B1 Azodyes, process for their preparation and the use thereof CIBA SC HOLDING AG (CH) 2002-01-02 EP disclosed
US-5616695-A YELLOW DYES HAVING GOOD FASTNESS PROPERTIES CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
EP-0699719-A2 Azodyes, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1996-03-06 EP disclosed