SCHEMBL6652379

SCHEMBL6652379

O=c1[nH]cc(Cc2cccc(F)c2)c(NS(=O)(=O)Cc2ccccc2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PARP14 Q460N5 1/20 0.39
DAO P14920 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
BRD4 O60885 1/20 0.36
CYP19A1 P11511 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL6647299 0.74 DAO (0.52) DAOPDE3BPDE3A
SCHEMBL6471595 0.73 DAO (0.39) DAOPDE3BPDE3A
SCHEMBL6649147 0.72 PKM (0.45) DAO
SCHEMBL6650193 0.71 DAO (0.43) DAOPDE3BPDE3A
SCHEMBL5215190 0.70 DAO (0.49) KMT2ADAOPDE3BPDE3A
SCHEMBL6652310 0.68 MAPK14 (0.47) KMT2ADAOPDE3BPDE3A
SCHEMBL359651 0.68 KMT2A (0.69) KMT2ABRD4CYP19A1
SCHEMBL4476585 0.67 MAPK14 (0.51) KMT2APARP14BRD4
SCHEMBL6648037 0.66 THRA (0.41) DAOPDE3BPDE3A
SCHEMBL6648289 0.66 MAOB (0.43) DAOPDE3BPDE3A

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
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed