SCHEMBL24034458

SCHEMBL24034458

c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5c(ccc6ccc7ccccc7c65)c34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MAPT P10636 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
ATM Q13315 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LIMK1 P53667 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL24034546 0.94 MAPT (0.40) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL24034450 0.93 MAPT (0.37) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL22880012 0.93 ALOX5 (0.39) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL26435280 0.93 ALOX5 (0.42) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL24034464 0.92 MAPT (0.38) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL24034547 0.92 MAPT (0.38) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL24034420 0.92 MAPT (0.38) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL23759412 0.92 ALOX5 (0.41) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL22879714 0.92 ALOX5 (0.42) ALOX5MAPTTSHRHPGDSMN1; SMN2
SCHEMBL26435320 0.91 ALOX5 (0.43) ALOX5MAPTTSHRHPGDSMN1; 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-2021230655-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 WO disclosed