SCHEMBL14374582

SCHEMBL14374582

COc1ccc(N=Nc2c(SOOO)cc3cc(N=Nc4c(SOOO)cc5c(S(=O)(=O)O)cc(N=Nc6ccc7cc(S(=O)(=O)O)c(N=Nc8ccc([N+](=O)[O-])cc8SOOO)c(O)c7c6)c(N)c5c4O)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 13/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ PRMT1 Q99873 1/20 0.32

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
SCHEMBL14374683 0.93 PHLPP2 (0.42) ENPP2PHLPP2CYP1A2CYP3A4HPGD
SCHEMBL13994861 0.91 ENPP2 (0.49) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL14374581 0.90 PHLPP2 (0.44) ENPP2PHLPP2CYP1A2CD40CD40LG
SCHEMBL14374918 0.89 ENPP2 (0.46) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL14400895 0.89 ENPP2 (0.48) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL14374585 0.88 ENPP2 (0.45) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL13900494 0.88 CD40 (0.46) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL13915882 0.88 ENPP2 (0.44) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL14374727 0.87 ENPP2 (0.42) ENPP2PHLPP2CYP1A2CYP3A4CYP2D6
SCHEMBL14374580 0.86 PHLPP2 (0.44) ENPP2PHLPP2CYP1A2CD40CD40LG

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-20070227388-A1 Tetrakisazo Compound, Coloring Matter for Recording, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-10-04 — — US disclosed
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