SCHEMBL13387755

SCHEMBL13387755

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)cc(N=Nc4c(S(=O)(=O)O)cc5cc(SOOO)c(N=Nc6ccc([N+](=O)[O-])cc6S(=O)(=O)O)c(O)c5c4N)cc3c2O)c(SOOO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.46
▸ CYP2D6 P10635 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ PRMT1 Q99873 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 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
SCHEMBL13239099 0.94 ENPP2 (0.50) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13239104 0.92 ENPP2 (0.47) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13994861 0.91 ENPP2 (0.49) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13239105 0.91 ENPP2 (0.44) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13407073 0.90 ENPP2 (0.52) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13239098 0.88 ENPP2 (0.57) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13779694 0.87 ENPP2 (0.45) ENPP2CYP1A2PHLPP2CD40CD40LG
SCHEMBL13236957 0.86 ENPP2 (0.53) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL1108410 0.86 ENPP2 (0.53) ENPP2CYP2D6HPGDALOX15ALOX12
SCHEMBL13239103 0.85 ENPP2 (0.51) ENPP2CYP2D6HPGDALOX15ALOX12

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-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 — — US disclosed
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