SCHEMBL24991083

SCHEMBL24991083

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7c6ccc6c8ccccc8ccc76)cccc5c34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ HPGD P15428 4/20 0.37
▸ TSHR P16473 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A1 P04798 4/20 0.37
▸ CYP1B1 Q16678 3/20 0.37

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
SCHEMBL24991085 0.96 MAPT (0.38) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23820210 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL24991447 0.95 CYP1A2 (0.36) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL24930430 0.94 ALOX5 (0.39) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23821340 0.93 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23820973 0.93 ALOX5 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23821390 0.93 ALOX5 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL24930431 0.93 MAPT (0.40) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23820681 0.93 PIM1 (0.39) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL24990302 0.93 MAPT (0.42) ALDH1A1KDM4EHSD17B10CYP1A2TP53

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-2023014190-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-02-09 — — WO disclosed
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