SCHEMBL10074811

SCHEMBL10074811

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4cc(S(=O)(=O)O)c5cc(S(=O)(=O)O)c(/N=N/c6ccc([N+](=O)[O-])cc6S(=O)(=O)O)c(O)c5c4N)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ PHLPP2 Q6ZVD8 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ APEX1 P27695 2/20 0.35
▸ NT5E P21589 1/20 0.35

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
SCHEMBL6126040 1.00 ENPP2 (0.38) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL10284773 0.99 PHLPP2 (0.38) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL14400964 0.92 CYP1A2 (0.43) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL6123878 0.92 PHLPP2 (0.33) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL13852299 0.91 ENPP2 (0.37) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL6123833 0.91 CYP3A4 (0.33) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL14400843 0.87 CYP1A2 (0.44) ENPP2CYP1A2PHLPP2CYP3A4ALOX15
SCHEMBL6125352 0.86 ENPP2 (0.46) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL14293987 0.85 PHLPP2 (0.43) ENPP2CYP1A2PHLPP2CYP3A4HPGD
SCHEMBL6126063 0.85 ENPP2 (0.45) ENPP2CYP1A2PHLPP2CYP3A4HPGD

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-20120050382-A1 INK JET INK COMPOSITION, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS SONY CORPORATION (JP) 2012-03-01 — — US disclosed
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