SCHEMBL6475634

SCHEMBL6475634

CC(=O)Oc1cc(-c2ccccc2)c2n1CCC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BACE1 P56817 4/20 0.47
ALOX5 P09917 8/20 0.45
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
PTGS1 P23219 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL6477062 0.75 HPGD (0.43) MEN1KMT2AALOX5PTGS1
SCHEMBL5281256 0.75 ALOX5 (0.43) MEN1KMT2AALOX5PTGS1
SCHEMBL6475630 0.74 ALOX5 (0.45) MEN1KMT2AALOX5PTGS1
SCHEMBL6487543 0.69 ALOX5 (0.39) MEN1KMT2AALOX5PTGS1
SCHEMBL8844254 0.67 KDM4E (0.40) MEN1KMT2APTGS1
SCHEMBL3728321 0.64 KDM4E (0.58) MEN1KMT2ABACE1NPC1PTGS1
SCHEMBL10496442 0.64 BACE1 (0.63) MEN1KMT2ABACE1ALOX5NPC1
SCHEMBL3273499 0.64 BACE1 (0.75) MEN1KMT2ABACE1NPC1POLB
SCHEMBL3782026 0.64 BACE1 (0.55) MEN1KMT2ABACE1NPC1POLB
SCHEMBL1514634 0.64 KMT2A (0.76) MEN1KMT2AALOX5PTGS1

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-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed