SCHEMBL15550335

SCHEMBL15550335

Cn1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(C(F)(F)F)cc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
HSPB1 P04792 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
RAB9A P51151 1/20 0.38
PDE7A Q13946 1/20 0.37
PSD A5PKW4 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL15549327 0.89 BRD4 (0.47) BRD4MAPTMEN1ALDH1A1KMT2A
SCHEMBL15551621 0.88 HSPB1 (0.54) BRD4HSPB1MAPTMEN1ALDH1A1
SCHEMBL15552160 0.86 BRD4 (0.50) BRD4HSPB1MAPTMEN1ALDH1A1
SCHEMBL15550329 0.86 BRD4 (0.65) BRD4HSPB1MAPTMEN1ALDH1A1
SCHEMBL15550839 0.84 BRD4 (0.47) BRD4HSPB1MAPTMEN1ALDH1A1
SCHEMBL15549841 0.83 BRD4 (0.51) BRD4MAPTRAB9ALMNAATM
SCHEMBL15550298 0.82 BRD4 (0.46) BRD4HSPB1ALDH1A1
SCHEMBL15552473 0.81 BRD4 (0.55) BRD4
SCHEMBL15551876 0.81 BRD4 (0.50) BRD4HSPB1MAPTMEN1ALDH1A1
SCHEMBL15550056 0.80 HSPB1 (0.56) BRD4HSPB1MAPTMEN1ALDH1A1

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