SCHEMBL25907903

SCHEMBL25907903

Brc1ccc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MPI P34949 1/20 0.40
GRM2 Q14416 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL29772982 0.89 CYP11B1 (0.49) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL23697444 0.89 CYP11B1 (0.49) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL17296044 0.88 CYP11B1 (0.49) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL29596315 0.87 CYP11B1 (0.50) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL895891 0.87 CYP11B1 (0.50) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL30340805 0.87 CYP11B1 (0.55) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL29006475 0.87 CYP11B1 (0.55) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL12520786 0.87 CYP11B1 (0.58) CYP11B1ALDH1A1MAPK1HPGDHIF1A
Benzene SCHEMBL21624613 0.85 GRM2 (0.50) CYP11B1ALDH1A1MAPK1HPGDHIF1A
SCHEMBL10296325 0.84 CA12 (0.53) ALDH1A1MAPK1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 WO disclosed
WO-2023085606-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-05-19 WO disclosed