SCHEMBL18218142

SCHEMBL18218142

Nc1c(/N=N/c2ccccc2S(=O)(=O)O)ccc2cc(S(=O)(=O)O)c(/N=N/c3cccc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)O)c(Nc6nc(Cl)nc(Nc7cccc(S(=O)(=O)O)c7)n6)c5)n4)c3)c(O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.62
▸ CHAT P28329 3/20 0.46
▸ ENPP3 O14638 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ ENPP2 Q13822 7/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ USP2 O75604 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ P2RY2 P41231 1/20 0.37
▸ P2RY4 P51582 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ P2RY13 Q9BPV8 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
SCHEMBL12172927 0.88 FUT8 (0.56) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL18218144 0.88 FUT8 (0.56) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL18220826 0.86 FUT8 (0.62) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL20685372 0.86 FUT8 (0.62) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL13934364 0.82 FUT8 (0.62) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL18218276 0.82 FUT8 (0.59) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL14981561 0.80 ENPP2 (0.54) FUT8ENPP2CYP1A2CD40CD40LG
SCHEMBL20685317 0.79 FUT8 (0.60) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL12172946 0.79 ENPP2 (0.51) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL9454071 0.79 FUT8 (0.88) FUT8CHATENPP3ENPP1ENPP2

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-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
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