SCHEMBL12974423

SCHEMBL12974423

Nc1c(Cl)nc(Nc2cc(S(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)c(O)c23)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.48
▸ FUT8 Q9BYC5 1/20 0.48
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PRMT1 Q99873 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ ATIC P31939 1/20 0.34

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
SCHEMBL12189771 0.87 FUT8 (0.52) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL8974959 0.81 FUT8 (0.69) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL12173036 0.81 FUT8 (0.57) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL13455170 0.79 FUT8 (0.77) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL14493388 0.78 ENPP2 (0.65) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14163968 0.77 FUT8 (0.67) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL13632939 0.77 ENPP2 (0.54) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL20685379 0.76 FUT8 (0.65) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL20685366 0.76 FUT8 (0.65) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL12974350 0.76 FUT8 (0.65) ENPP2FUT8CYP1A2CYP2C9MAPK1

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-2010149505-A2 CHARGED PARTICLES BASF SE (DE) 2010-12-29 — — WO disclosed
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