SCHEMBL24646995

SCHEMBL24646995

c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
LIMK1 P53667 1/20 0.31
GPR3 P46089 1/20 0.30
PIM3 Q86V86 1/20 0.30
APP P05067 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL25563294 0.97 ALDH1A1 (0.33) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL17550834 0.97 PDK2 (0.35) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL23449493 0.96 PDK2 (0.36) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL24905253 0.96 ALDH1A1 (0.34) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL23449338 0.96 ALDH1A1 (0.34) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL25563365 0.94 ALDH1A1 (0.35) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL19218472 0.94 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16996508 0.94 PIM3 (0.34) PDK2ALDH1A1MAPTF9ALOX5
SCHEMBL16996490 0.94 PIM3 (0.34) PDK2ALDH1A1MAPTF9ALOX5
SCHEMBL16996527 0.94 PIM3 (0.34) PDK2ALDH1A1MAPTF9ALOX5

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
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed