SCHEMBL25850894

SCHEMBL25850894

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6cc7oc8ccccc8c7c7ccccc67)n5)c34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PIM1 P11309 2/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 7/20 0.34
MAPT P10636 4/20 0.34
HSD17B10 Q99714 6/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA12 O43570 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
SCHEMBL23821525 0.94 PIM1 (0.37) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL25850891 0.94 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1PIM1ALDH1A1
SCHEMBL25502647 0.94 HCRTR1 (0.35) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL25504333 0.94 TDP1 (0.37) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL23819409 0.93 CA12 (0.38) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL23822720 0.92 ALDH1A1 (0.40) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL23819410 0.91 ALDH1A1 (0.40) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL23821749 0.91 ALDH1A1 (0.40) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL23819413 0.91 ALDH1A1 (0.40) HCRTR1TDP1L3MBTL1PIM1ENPP3
SCHEMBL23821931 0.91 ALDH1A1 (0.40) HCRTR1TDP1L3MBTL1PIM1ENPP3

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