SCHEMBL24314636

SCHEMBL24314636

C1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c(-c6cccc7oc8ccccc8c67)cccc45)n3)cc2)=CCC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
TSHR P16473 4/20 0.32
MAPT P10636 6/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.30

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
SCHEMBL25653148 0.99 BACE1 (0.32) BACE1TSHRMAPTALDH1A1KDM4E
SCHEMBL24314630 0.94 BACE1 (0.33) BACE1TSHRMAPTALDH1A1KDM4E
SCHEMBL26900148 0.93 TSHR (0.32) BACE1TSHRMAPTALDH1A1KDM4E
SCHEMBL24656700 0.92 PIM1 (0.31) BACE1ALDH1A1KDM4EHSD17B10TP53
SCHEMBL24657753 0.90 BACE1 (0.33) BACE1TSHRMAPTALDH1A1KDM4E
SCHEMBL24972814 0.89 BACE1 (0.33) BACE1TSHRMAPTALDH1A1KDM4E
SCHEMBL24315156 0.89 CDC14B (0.37) TSHRMAPTALDH1A1KDM4EMAPK1
SCHEMBL24357033 0.89 BACE1 (0.33) BACE1TSHRMAPTALDH1A1KDM4E
SCHEMBL24315173 0.89 TSHR (0.34) TSHRMAPTALDH1A1KDM4EMAPK1
SCHEMBL25653144 0.88 BACE1 (0.33) BACE1TSHRMAPTALDH1A1KDM4E

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
EP-3972001-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2022-03-23 EP disclosed