SCHEMBL13963792

SCHEMBL13963792

CN(CCO)c1nc(Nc2ccc(/N=N/c3cc(C(=O)O)cc(C(=O)O)c3)cc2)nc(Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.46
▸ CA2 P00918 9/20 0.46
▸ CA9 Q16790 9/20 0.46
▸ CA12 O43570 6/20 0.46
▸ ENPP2 Q13822 4/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ PRMT3 O60678 1/20 0.30
▸ EP300 Q09472 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30
▸ PRMT1 Q99873 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30

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
SCHEMBL12754566 0.88 CA1 (0.34) CA1CA2CA9CA12ENPP2
SCHEMBL12721285 0.85 ATIC (0.37) CA1CA2CA9CA12ENPP2
SCHEMBL13151921 0.84 CA1 (0.40) CA1CA2CA9ENPP2PHLPP2
SCHEMBL13963998 0.84 CA12 (0.37) CA1CA2CA9CA12ENPP2
SCHEMBL12721291 0.81 PTPN11 (0.35) CA1CA2CA9CA12
SCHEMBL12754235 0.80 ATIC (0.36) CA1CA2CA9CA12FUT8
SCHEMBL14627165 0.79 CA2 (0.39) CA1CA2CA9CA12ENPP2
SCHEMBL14593438 0.79 CA1 (0.41) CA1CA2CA9CA12NPC1
SCHEMBL12721300 0.78 ENPP2 (0.37) ENPP2RAB9ASMN1; SMN2PRMT1
SCHEMBL13963831 0.78 ATIC (0.38) CA1CA2CA9CA12ENPP2

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
WO-2009013459-A1 COMPOUND, INK, PROCESS AND USE FUJIFILIM IMAGING COLORANTS LIMITED (GB) 2009-01-29 — — WO disclosed
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