SCHEMBL13938020

SCHEMBL13938020

O=C(O)c1cc([N+](=O)[O-])ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3cc(SOOO)ccc3S(=O)(=O)O)c(O)c2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ENPP2 Q13822 5/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ PRMT1 Q99873 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL13937925 0.92 CYP1A2 (0.40) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13937922 0.84 PRMT1 (0.44) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13938015 0.84 PRMT1 (0.41) CYP1A2ENPP2PTPN11PRMT1MEN1
SCHEMBL13937839 0.84 ENPP2 (0.46) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13937844 0.83 PRMT1 (0.39) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13937872 0.81 ENPP2 (0.50) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13937847 0.81 ENPP2 (0.44) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13937901 0.80 ENPP2 (0.43) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13937907 0.80 ENPP2 (0.50) CYP1A2CYP2C9CYP3A4CYP2D6HPGD
SCHEMBL13386581 0.80 ENPP2 (0.46) CYP1A2CYP2C9CYP3A4CYP2D6HPGD

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-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 — — US disclosed
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