SCHEMBL15550839

SCHEMBL15550839

Cn1cc(-c2cc([N+](=O)[O-])ccc2Oc2cc(F)cc(F)c2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.47
HSPB1 P04792 5/20 0.43
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PDE7A Q13946 1/20 0.34

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
SCHEMBL15551621 0.91 HSPB1 (0.54) BRD4HSPB1MEN1ALDH1A1MAPT
SCHEMBL15551876 0.90 BRD4 (0.50) BRD4HSPB1MEN1ALDH1A1MAPT
SCHEMBL15550329 0.86 BRD4 (0.65) BRD4HSPB1MEN1ALDH1A1MAPT
SCHEMBL15552702 0.86 HSPB1 (0.55) BRD4HSPB1
SCHEMBL15552160 0.84 BRD4 (0.50) BRD4HSPB1MEN1ALDH1A1MAPT
SCHEMBL15550056 0.84 HSPB1 (0.56) BRD4HSPB1MEN1ALDH1A1MAPT
SCHEMBL15550335 0.84 BRD4 (0.47) BRD4HSPB1MEN1ALDH1A1MAPT
SCHEMBL15551620 0.82 BRD4 (0.50) BRD4MEN1ALDH1A1MAPTKMT2A
SCHEMBL15550585 0.81 BRD4 (0.51) BRD4
SCHEMBL15549327 0.81 BRD4 (0.47) BRD4MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
EP-2858990-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