SCHEMBL18905019

SCHEMBL18905019

c1ccc2c(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5ccccc45)n3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
ALOX5 P09917 1/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ATM Q13315 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL22274495 0.93 KDM4E (0.37) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL25817798 0.92 ALOX5 (0.36) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL20385217 0.92 CYP1B1 (0.40) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL26435375 0.92 ALOX5 (0.36) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL24472878 0.90 F9 (0.39) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL25621470 0.90 F9 (0.39) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL22880327 0.89 ALOX5 (0.35) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL24949976 0.89 S1PR1 (0.35) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL21148741 0.88 HDAC8 (0.36) GPR3ALOX5S1PR1S1PR3ALDH1A1
SCHEMBL22303318 0.88 ATM (0.39) GPR3ALOX5S1PR1S1PR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 US disclosed
US-20210184119-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-06-17 US disclosed
US-20170155049-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
US-20170155049-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed