SCHEMBL10600166

SCHEMBL10600166

Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.54
▸ FUT8 Q9BYC5 1/20 0.54
▸ CHAT P28329 3/20 0.43
▸ ENPP3 O14638 1/20 0.42
▸ ENPP1 P22413 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ PRMT1 Q99873 2/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37

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
SCHEMBL10600162 1.00 ENPP2 (0.54) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL13934364 0.91 FUT8 (0.62) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL20685372 0.89 FUT8 (0.62) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL18220826 0.89 FUT8 (0.62) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL10598550 0.88 ENPP2 (0.49) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL22768258 0.87 FUT8 (0.64) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL14080045 0.87 FUT8 (0.61) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL4162607 0.87 FUT8 (0.61) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL4162603 0.87 FUT8 (0.61) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL16664577 0.85 FUT8 (0.51) ENPP2FUT8CHATENPP3ENPP1

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
EP-0348050-A1 Colorant for printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-12-27 — — EP disclosed
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