SCHEMBL22672147

SCHEMBL22672147

c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5sc5ccccc56)c4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
PRKDC P78527 3/20 0.38
PIM3 Q86V86 1/20 0.36
PARP14 Q460N5 1/20 0.34
LIMK1 P53667 1/20 0.34
TSPO P30536 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPT P10636 3/20 0.33
PDE10A Q9Y233 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 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
SCHEMBL18779507 1.00 ALOX5 (0.49) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL17661416 1.00 ALOX5 (0.49) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL22671691 0.99 ALOX5 (0.48) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL22672357 0.99 ALOX5 (0.50) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL10165699 0.99 ALOX5 (0.50) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL14649045 0.99 ALOX5 (0.50) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL21578705 0.98 ALOX5 (0.49) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL25789756 0.97 ALOX5 (0.45) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL24304176 0.97 ALOX5 (0.48) ALOX5L3MBTL1KDM4EATMPRKDC
SCHEMBL18926349 0.97 ALOX5 (0.48) ALOX5L3MBTL1KDM4EATMPRKDC

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-20200365811-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND COMPOSITION FILM IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed