SCHEMBL13852307

SCHEMBL13852307

Cc1cc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)O)c5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6S(=O)(=O)O)c(O)c5c4N)ccc3c2O)c(OCCCS(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.38
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SUMO2 P61956 1/20 0.31

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
SCHEMBL6126462 1.00 ENPP2 (0.38) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL6126122 0.94 ENPP2 (0.45) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL11930420 0.94 ENPP2 (0.45) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL10284259 0.94 ENPP2 (0.45) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL13909431 0.94 PHLPP2 (0.35) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL6125340 0.92 ENPP2 (0.43) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL13909676 0.91 ENPP2 (0.35) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL6126201 0.91 ENPP2 (0.43) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL13852030 0.91 ENPP2 (0.46) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL6125336 0.91 ENPP2 (0.37) ENPP2PHLPP2MEN1KMT2AHTT

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-20090136720-A1 Azo Compound, Ink Composition, Recording Method and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-28 — — US disclosed
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