SCHEMBL12589894

SCHEMBL12589894

CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(SOOO)c(N=Nc4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.45
▸ MAPK1 P28482 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ENPP2 Q13822 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
SCHEMBL13815202 1.00 FUT8 (0.45) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL13815204 0.94 FUT8 (0.44) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL14001593 0.93 FUT8 (0.47) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL14020931 0.90 FUT8 (0.52) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL14071634 0.90 FUT8 (0.52) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL13815201 0.89 FUT8 (0.58) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12589892 0.89 FUT8 (0.58) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12974316 0.89 FUT8 (0.57) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12646578 0.89 FUT8 (0.57) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12173273 0.88 FUT8 (0.45) FUT8MAPK1CYP1A2CYP2C9DNASE1L3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7967903-B2 Ink composition EVERLIGHT USA, INC. (US) 2011-06-28 — — US disclosed
US-20090211488-A1 Inc composition EVERLIGHT USA, INC. (US) 2009-08-27 — — US disclosed
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