SCHEMBL25008997

SCHEMBL25008997

c1ccc(-c2cccc3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 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
SCHEMBL25008350 0.96 KDM4E (0.42) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25008346 0.95 KDM4E (0.41) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25817880 0.95 HSD17B1 (0.40) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25008927 0.95 KDM4E (0.41) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25009011 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25009006 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25009004 0.94 CA12 (0.40) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25008329 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25008912 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL25668671 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD

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
EP-4289836-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-12-13 EP disclosed
WO-2023014004-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed