SCHEMBL13937837

SCHEMBL13937837

CC(=O)Nc1ccc(/N=N/c2c(SOOO)cc3c(S(=O)(=O)O)cc(/N=N/c4ccc([N+](=O)[O-])cc4SOOO)c(O)c3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 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 0.35
▸ CD40LG P29965 1/20 0.35
▸ ENPP2 Q13822 3/20 0.35
▸ PRMT1 Q99873 2/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ AMY1A P0DUB6 2/20 0.33

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
SCHEMBL13937842 0.89 CD40 (0.40) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937838 0.87 CYP3A4 (0.40) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937844 0.84 PRMT1 (0.39) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937903 0.83 PRMT3 (0.44) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13938006 0.83 PRMT1 (0.38) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937955 0.83 CYP1A2 (0.38) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937900 0.81 CA2 (0.38) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937852 0.80 PRMT1 (0.43) CYP1A2CYP2C9CD40CD40LGENPP2
SCHEMBL13937840 0.78 PTPN11 (0.40) CYP3A4HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL13937876 0.78 CD40 (0.46) CD40CD40LGENPP2PRMT1PRMT3

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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