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SCHEMBL7573251

SCHEMBL7573251

Cc1c(C)c(Nc2ccc(C(=NO)c3sccc3Cl)c(Cl)c2)c(C)c(C)c1Br.Nc1cc(Br)ccc1Nc1ccc(C(=NO)c2sccc2Cl)c(Cl)c1.O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(C(=NO)c2sccc2Cl)c(Cl)c1.ON=C(c1ccc(Nc2ccc(Br)cc2Cl)cc1Cl)c1sccc1Cl.ON=C(c1ccc(Nc2ccccc2)cc1Cl)c1sccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.42
▸ MAPK13 O15264 5/20 0.42
▸ MAPK12 P53778 5/20 0.42
▸ MAPK11 Q15759 5/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ WNK1 Q9H4A3 1/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CXCR2 P25025 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
SCHEMBL7080434 0.82 MEN1 (0.43) MAPK14MAPK13MAPK12MAPK11L3MBTL1
SCHEMBL7080433 0.82 MEN1 (0.43) MAPK14MAPK13MAPK12MAPK11L3MBTL1
SCHEMBL7079255 0.78 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7079257 0.78 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7075000 0.76 F10 (0.35) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7075002 0.76 F10 (0.35) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7081237 0.76 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7081240 0.76 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7080486 0.75 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11L3MBTL1
SCHEMBL7080484 0.75 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11L3MBTL1

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-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 — — WO claimed