SCHEMBL24315131

SCHEMBL24315131

C1=Cc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)ccc2CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
CYP2B6 P20813 2/20 0.32
ALOX5 P09917 1/20 0.32
TERT O14746 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23822143 0.94 BACE1 (0.33) BACE1ALOX5
SCHEMBL26044414 0.94 ALDH1A1 (0.32) BACE1ALDH1A1HPGDHSD17B10
SCHEMBL24907957 0.92 TSHR (0.31) BACE1TERT
SCHEMBL26896536 0.92 BACE1 (0.30) BACE1
SCHEMBL24315272 0.92 AHR (0.33) BACE1ALOX5KDM4EALDH1A1HPGD
SCHEMBL24357017 0.92 TSHR (0.32) BACE1TERTKDM4EALDH1A1HPGD
SCHEMBL24314469 0.91 BACE1 (0.31) BACE1TERT
SCHEMBL23821617 0.91 BRDT (0.32) CYP2B6
SCHEMBL23816400 0.91 TSHR (0.35) ALOX5TERTKDM4EALDH1A1HPGD
SCHEMBL26043918 0.91 TERT (0.32) BACE1TERT

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-3972001-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2022-03-23 EP disclosed