SCHEMBL6471671

SCHEMBL6471671

Cc1[nH]c(=O)c(Cl)c(OCc2ccc(F)cc2F)c1Cc1cnc(C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.42
MAPK14 Q16539 5/20 0.38
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALKBH1 Q13686 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL6471283 0.91 PDE3B (0.37) PTGER1MAPK14MAOB
SCHEMBL6471998 0.90 MAPK14 (0.43) PTGER1MAPK14
SCHEMBL6473806 0.87 MAPK14 (0.37) PTGER1MAPK14
SCHEMBL6470897 0.85 MAPK14 (0.37) PTGER1MAPK14
SCHEMBL6471580 0.82 MAPK14 (0.45) PTGER1MAPK14MAOB
SCHEMBL6471970 0.81 MAPK14 (0.44) PTGER1MAPK14
SCHEMBL6473585 0.80 MAPK14 (0.41) PTGER1MAPK14
SCHEMBL6472398 0.80 MAPK14 (0.43) PTGER1MAPK14
SCHEMBL6474519 0.78 MAPK14 (0.46) MAPK14
SCHEMBL6471522 0.78 MAPK14 (0.42) MAPK14

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed