SCHEMBL23487012

SCHEMBL23487012

c1ccc(-c2nc(-c3ccc4c(c3)c3cccc5ccc6oc7c8ccccc8n4c7c6c53)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL23487006 0.96 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL23486998 0.88 PLA2G2A (0.34) ALDH1A1MAPTHPGDHSD17B10TSHR
SCHEMBL23487005 0.86 MAPT (0.38) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL26246251 0.81 KDM4E (0.30) KDM4EATML3MBTL1
SCHEMBL18239110 0.80 ALDH1A1 (0.40) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL23487001 0.79 MAPT (0.32) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL23511982 0.78 MAPT (0.43) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL26246083 0.77 MAPT (0.32) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL23487007 0.77 MEN1 (0.35) ALDH1A1HPGDHSD17B10KDM4ETP53
SCHEMBL23487243 0.77 CYP1A2 (0.44) ALDH1A1MAPTHPGDHSD17B10KDM4E

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed