SCHEMBL6471385

SCHEMBL6471385

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.41
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CNR1 P21554 1/20 0.35
P2RX7 Q99572 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
SCHEMBL6471522 0.88 MAPK14 (0.42) MAPK14P2RX7
SCHEMBL6472890 0.87 MAPK14 (0.42) MAPK14P2RX7
SCHEMBL6471472 0.87 MAPK14 (0.43) MAPK14
SCHEMBL6472065 0.86 MAPK14 (0.41) MAPK14P2RX7
SCHEMBL6471307 0.86 MAPK14 (0.48) MAPK14P2RX7
SCHEMBL6474622 0.86 MAPK14 (0.47) MAPK14P2RX7
Hydrochloric Acid SCHEMBL6472925 0.85 MAPK14 (0.48) MAPK14P2RX7
Hydrochloric Acid SCHEMBL6474634 0.85 P2RX7 (0.41) MAPK14P2RX7
SCHEMBL6473783 0.84 MAPK14 (0.40) MAPK14P2RX7
SCHEMBL6471970 0.84 MAPK14 (0.44) MAPK14P2RX7

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