SCHEMBL6471124

SCHEMBL6471124

N#Cc1cc(O)c(-c2c[nH]c(=O)c(Cl)c2OCc2ccc(F)cc2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.38
PTGER1 P34995 1/20 0.37
MAOB P27338 1/20 0.35
CNR1 P21554 1/20 0.34
BRD4 O60885 1/20 0.34
HSD11B1 P28845 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL6472250 0.93 MAPK14 (0.40) MAPK14PTGER1MAOBCNR1BRD4
SCHEMBL6473460 0.87 MAPK14 (0.40) MAPK14PTGER1MAOBCNR1BRD4
SCHEMBL6471360 0.82 MAPK14 (0.44) MAPK14PTGER1MAOBBRD4CYP1A1
SCHEMBL6471156 0.79 MAPK14 (0.41) MAPK14PTGER1MAOBGSK3BBACE1
SCHEMBL6471273 0.75 MAPK14 (0.44) MAPK14MAOBGSK3BBACE1
SCHEMBL6470956 0.73 MAPK14 (0.44) MAPK14MAOB
SCHEMBL6533063 0.73 MAPK14 (0.42) MAPK14MAOBBRD4
SCHEMBL6470939 0.72 MAPK14 (0.41) MAPK14MAOB
SCHEMBL6470962 0.72 MAOB (0.43) MAPK14MAOB
SCHEMBL6473625 0.71 HTR2A (0.38) MAPK14PTGER1MAOB

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-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed