SCHEMBL15978769

SCHEMBL15978769

c1ccc2oc(-c3ccc(-c4cc5ccc6cc(-c7cccc8c7sc7ccccc78)cc7ccc(c4)c5c67)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
NPC1 O15118 10/20 0.43
RAB9A P51151 8/20 0.43
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 7/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 4/20 0.43
GAA P10253 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 1/20 0.43
STAT1 P42224 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9603887 0.90 NPC1 (0.49) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL8512669 0.89 NPC1 (0.50) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL9603890 0.88 ALOX5 (0.49) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL9603888 0.88 ALOX5 (0.49) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL24331989 0.87 NPC1 (0.43) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL9603889 0.84 NPC1 (0.48) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL9603898 0.84 TP53 (0.49) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL23606755 0.84 NPC1 (0.45) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL9603902 0.83 TP53 (0.48) ALOX5NPC1RAB9AKDM4EALDH1A1
SCHEMBL23328460 0.83 NPC1 (0.44) ALOX5NPC1RAB9AKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10193072-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-29 US disclosed
US-20140239269-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-28 US disclosed
US-20140239269-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-28 US disclosed