SCHEMBL11041298

SCHEMBL11041298

COC1=NC=Cc2cc(OC)c(OC)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 5/20 0.37
MAOA P21397 5/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRNA7 P36544 2/20 0.32
MAOB P27338 2/20 0.32
SLC6A4 P31645 1/20 0.32
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
ACHE P22303 1/20 0.31
HCN4 Q9Y3Q4 2/20 0.31

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
SCHEMBL11039717 0.86 BRD4 (0.41) BRD4CYP3A4MAPTKDM4EMAOA
SCHEMBL11041640 0.81 BRD4 (0.45) BRD4CYP3A4MAPTKDM4EMAOA
Hydrochloric Acid SCHEMBL11040043 0.80 BRD4 (0.44) BRD4CYP3A4MAPTKDM4EMAOA
SCHEMBL11054742 0.79 BRD4 (0.43) BRD4CYP3A4MAPTKDM4EMAOA
SCHEMBL11719093 0.78 BRD4 (0.42) BRD4CYP3A4MAPTKDM4EMAOA
SCHEMBL11063789 0.75 BRD4 (0.40) BRD4CYP3A4MAPTKDM4EMAOA
SCHEMBL1533850 0.75 BRD4 (0.53) BRD4CYP3A4MAPTKDM4EMAOA
Hydrochloric Acid SCHEMBL11055170 0.74 BRD4 (0.40) BRD4CYP3A4MAPTKDM4EMAOA
SCHEMBL11057303 0.73 MAPT (0.40) BRD4CYP3A4MAPTKDM4EALDH1A1
SCHEMBL11040367 0.73 MAPT (0.40) BRD4CYP3A4MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116444-A2 Improvements in or relating to benzazepine derivatives ELI LILLY AND COMPANY (US) 1984-08-22 EP disclosed