SCHEMBL8525323

SCHEMBL8525323

CN1C2C=CC(c3ccc4c(c3)n(C)c(=O)n4C)C1CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 3/20 0.40
BRPF1 P55201 3/20 0.38
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.35
PIK3CG P48736 1/20 0.34
PARG Q86W56 1/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
BRD1 O95696 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL8485874 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TP53LMNA
SCHEMBL8489949 0.80 LMNA (0.40) BRD4LMNA
SCHEMBL8488006 0.75 SLC6A2 (0.44)
SCHEMBL8488675 0.73 SLC6A3 (0.41)
SCHEMBL8487415 0.73 SLC6A3 (0.43) ALDH1A1KDM4E
SCHEMBL8488165 0.73 SLC6A2 (0.42)
SCHEMBL8489089 0.71 HTR2C (0.41)
SCHEMBL8487483 0.70 MDM2 (0.39) HSD17B10TP53
SCHEMBL23411317 0.67 MAPK14 (0.47) TRIM24BRPF1BRD4ALDH1A1SMN1; SMN2
SCHEMBL8489231 0.66 CHRNB2 (0.37)

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
WO-1999038865-A1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES ZENECA LIMITED (GB) 1999-08-05 WO disclosed