SCHEMBL25846010

SCHEMBL25846010

c1ccc(-c2cccc3oc4ccccc4c23)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4c4ccc5ccccc5c34)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
CASP1 P29466 3/20 0.43
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 2/20 0.43
TDP1 Q9NUW8 1/20 0.39
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
AHR P35869 2/20 0.34
ERBB2 P04626 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
PIM1 P11309 1/20 0.33
MAPT P10636 4/20 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
SCHEMBL23759529 0.95 L3MBTL1 (0.40) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24930620 0.93 ALDH1A1 (0.40) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24930642 0.92 L3MBTL1 (0.42) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24930624 0.92 TSHR (0.43) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24930705 0.92 L3MBTL1 (0.41) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24931394 0.91 L3MBTL1 (0.39) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24930712 0.91 ALDH1A1 (0.38) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL23822646 0.91 ALDH1A1 (0.38) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24930707 0.91 L3MBTL1 (0.40) ALDH1A1HPGDTSHRCASP1HSD17B10
SCHEMBL24657759 0.91 ALDH1A1 (0.43) ALDH1A1HPGDTSHRCASP1HSD17B10

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed