SCHEMBL11926254

SCHEMBL11926254

CCCOc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2c(S(=O)(=O)O)c(N=Nc3cc(S(=O)(=O)O)c4ccc(N=Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)O)c(O)c4c3N)ccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.45
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ PRMT1 Q99873 1/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL15292343 1.00 ENPP2 (0.45) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL6126122 0.92 ENPP2 (0.45) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL10284259 0.92 ENPP2 (0.45) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL11930420 0.92 ENPP2 (0.45) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL16153643 0.91 CYP3A4 (0.39) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL16153645 0.90 CYP3A4 (0.35) ENPP2PHLPP2APEX1MEN1KMT2A
SCHEMBL6125340 0.90 ENPP2 (0.43) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL6126201 0.89 ENPP2 (0.43) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL13852030 0.89 ENPP2 (0.46) ENPP2PHLPP2PRMT1APEX1MEN1
SCHEMBL13852302 0.89 ENPP2 (0.44) ENPP2PHLPP2PRMT1APEX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512462-B2 Azo compounds, ink compositions, and colored bodies NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-08-20 — — US disclosed
US-20120202019-A1 AZO COMPOUNDS, INK COMPOSITIONS, AND COLORED BODIES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-08-09 — — US disclosed
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