SCHEMBL13995000

SCHEMBL13995000

CC(=O)Nc1ccc2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(SOOO)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 1/20 0.55
▸ EP300 Q09472 1/20 0.55
▸ PRMT6 Q96LA8 1/20 0.55
▸ PRMT1 Q99873 1/20 0.55
▸ ENPP2 Q13822 9/20 0.47
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ FUT8 Q9BYC5 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ MPL P40238 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
SCHEMBL13046146 0.85 PRMT1 (0.79) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL13994974 0.84 PHLPP2 (0.49) ENPP2CD40CD40LGALDH1A1CYP1A2
SCHEMBL12053341 0.81 PRMT3 (0.42) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL12377654 0.81 PRMT1 (0.49) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL14362773 0.80 PRMT1 (0.50) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL13994976 0.80 PTPN11 (0.42) ENPP2ALDH1A1CYP1A2HIF1APHLPP2
SCHEMBL13937852 0.79 PRMT1 (0.43) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL13937871 0.78 PRMT3 (0.42) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL14001678 0.78 ENPP2 (0.53) PRMT3EP300PRMT6PRMT1ENPP2
SCHEMBL13088708 0.77 ENPP2 (0.52) PRMT3EP300PRMT6PRMT1ENPP2

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-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
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