SCHEMBL24990902

SCHEMBL24990902

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7c(ccc8c9ccccc9ccc78)c6)ccc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
ATM Q13315 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
HCRTR1 O43613 1/20 0.36
CASP1 P29466 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL24930765 0.99 MAPT (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL23820555 0.99 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL24990503 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL24888079 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL23820161 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL24029743 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL23821031 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL23822261 0.96 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL23821411 0.96 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL23821052 0.96 MAPT (0.39) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2

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