SCHEMBL15549327

SCHEMBL15549327

Cn1cc(-c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
MAPT P10636 2/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
ENPP2 Q13822 2/20 0.38
PTGES O14684 1/20 0.38
KIF11 P52732 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PYGL P06737 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SOS1 Q07889 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SCN2A Q99250 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
SCHEMBL15550335 0.89 BRD4 (0.47) BRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL15551876 0.87 BRD4 (0.50) BRD4MAPTENPP2MEN1KMT2A
SCHEMBL15550329 0.85 BRD4 (0.65) BRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL15551620 0.85 BRD4 (0.50) BRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL15551540 0.84 BRD4 (0.51) BRD4MAPTSOS1
SCHEMBL15550298 0.82 BRD4 (0.46) BRD4ENPP2ALDH1A1
SCHEMBL15551621 0.81 HSPB1 (0.54) BRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL15550839 0.81 BRD4 (0.47) BRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL15550391 0.80 BRD4 (0.49) BRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL15552160 0.79 BRD4 (0.50) BRD4MAPTMEN1KMT2AALDH1A1

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-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