SCHEMBL13842680

SCHEMBL13842680

CCn1c(O)c(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c5c4O)c(C(=O)O)c3)c3ccccc23)c(C)c(C(N)=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ PHLPP2 Q6ZVD8 3/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ENPP2 Q13822 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLO1 Q04760 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL13842616 0.94 PRMT1 (0.44) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13842620 0.93 ENPP2 (0.44) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13842676 0.92 PRMT1 (0.44) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13840858 0.91 ENPP2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13842685 0.91 ENPP2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13840869 0.90 PRMT1 (0.41) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13840900 0.89 CYP1A2 (0.38) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13840865 0.89 CYP1A2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13842615 0.89 ENPP2 (0.48) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2
SCHEMBL13840894 0.87 CYP1A2 (0.38) CYP1A2CYP2C9MAPK1DNASE1L3PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7530685-B2 Trisazo dyes for inks for ink jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-05-12 — — US disclosed
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