SCHEMBL13239100

SCHEMBL13239100

Nc1c(N=Nc2ccc3cc(S(=O)(=O)O)c(N=Nc4ccccc4SOOO)c(O)c3c2)c(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.57
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PRMT1 Q99873 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ THRB P10828 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
SCHEMBL13239098 0.95 ENPP2 (0.57) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13994956 0.91 ENPP2 (0.54) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13387657 0.91 ENPP2 (0.52) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL1108410 0.90 ENPP2 (0.53) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13236957 0.90 ENPP2 (0.53) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13239103 0.89 ENPP2 (0.51) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13239099 0.89 ENPP2 (0.50) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13994865 0.89 ENPP2 (0.51) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13239101 0.89 ENPP2 (0.52) ENPP2CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL13994867 0.89 ENPP2 (0.48) ENPP2CYP1A2CYP2C9CD40CD40LG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 — — US disclosed
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 — — US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 — — US disclosed
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