SCHEMBL15538629

SCHEMBL15538629

Cn1nc(-c2ccccc2Oc2ccccc2)c(-c2ccc(CCO)cc2)cc1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.61
FFAR4 Q5NUL3 2/20 0.44
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL15538363 0.94 BRD4 (0.59) BRD4FFAR4PTGS2
SCHEMBL28012175 0.91 BRD4 (0.64) BRD4FFAR4PTGS2
SCHEMBL20135835 0.91 BRD4 (0.58) BRD4FFAR4
SCHEMBL15539499 0.89 BRD4 (0.62) BRD4FFAR4PTGS2TP53
SCHEMBL28012062 0.89 BRD4 (0.64) BRD4FFAR4PTGS2
SCHEMBL15538774 0.89 BRD4 (0.56) BRD4FFAR4PTGS2TP53MDM2
SCHEMBL15540441 0.88 BRD4 (0.58) BRD4FFAR4
SCHEMBL28012051 0.87 BRD4 (0.65) BRD4FFAR4PTGS2
SCHEMBL15559351 0.86 BRD4 (0.60) BRD4FFAR4PTGS2
SCHEMBL15539387 0.85 BRD4 (0.57) BRD4FFAR4PTGS2SCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP claimed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO claimed
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed