SCHEMBL7603593

SCHEMBL7603593

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3c(S(=O)(=O)O)ccc4ccccc34)c(O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
MAPK1 P28482 2/20 0.62
CYP2C9 P11712 2/20 0.62
DNASE1L3 Q13609 1/20 0.62
PHLPP2 Q6ZVD8 2/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
ENPP2 Q13822 4/20 0.57
PRMT1 Q99873 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 2/20 0.51
SUMO2 P61956 2/20 0.48
SUMO1 P63165 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP2 Q9HC62 2/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SENP3 Q9H4L4 1/20 0.48
SENP1 Q9P0U3 1/20 0.48

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
SCHEMBL60352 0.88 CYP1A2 (0.80) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL60351 0.88 CYP1A2 (0.80) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL6028562 0.88 PHLPP2 (0.65) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL6028561 0.88 PHLPP2 (0.65) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL186095 0.84 PHLPP2 (0.70) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL344209 0.84 PHLPP2 (0.70) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL29377534 0.84 PHLPP2 (0.70) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL113323 0.84 PHLPP2 (0.70) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL19513949 0.83 PHLPP2 (0.68) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2
SCHEMBL8453667 0.83 CYP1A2 (0.74) CYP1A2MAPK1CYP2C9DNASE1L3PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017744-B1 BRIDGED MONOAZO COMPOUNDS CLARIANT FINANCE BVI LTD (VG) 2002-12-04 EP disclosed
US-6365719-B1 DISAZO DYES WITH TRIAZINE GROUPS CLARIANT FINANCE (BVI) LIMITED (VI) 2002-04-02 US disclosed
EP-1017744-A1 BRIDGED MONOAZO COMPOUNDS Clariant Finance (BVI) Limited (VG) 2000-07-12 EP disclosed
WO-1999016833-A1 BRIDGED MONOAZO COMPOUNDS CLARIANT FINANCE (BVI) LIMITED (VG) 1999-04-08 WO disclosed