SCHEMBL17089920

SCHEMBL17089920

C=C(/C=C\C=C/C)c1cc2c3ccccc3c(=O)n3c4ccc(-c5ccccc5)cc4c(c1)c23

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
TSPO P30536 1/20 0.34
NPC1 O15118 4/20 0.32
MAOB P27338 1/20 0.32
NR4A2 P43354 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LDHA P00338 1/20 0.30

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
SCHEMBL14732255 0.79 MAOB (0.40) BRD4TSPONPC1MAOBNR4A2
SCHEMBL20633762 0.79 MAOB (0.40) BRD4TSPONPC1MAOBNR4A2
SCHEMBL25100608 0.78 KMO (0.34) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL14732257 0.78 MAOB (0.40) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL22140685 0.77 KMT2A (0.40) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL20632499 0.77 MAOB (0.39) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL21636051 0.77 MAOB (0.42) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL14732295 0.77 MAOB (0.39) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL15213890 0.77 MAOB (0.39) BRD4TSPOMAOBNR4A2KDM4E
SCHEMBL25100609 0.77 KMO (0.31) BRD4TSPO

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
US-9139582-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-22 US disclosed