SCHEMBL16978633

SCHEMBL16978633

c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)nc5ccccc45)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.35
ADORA2A P29274 3/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX5 P09917 1/20 0.32
LIMK1 P53667 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL15497608 0.99 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16978637 0.98 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16919557 0.95 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15497603 0.94 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL31724 0.94 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16919504 0.94 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16978614 0.92 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16978634 0.92 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15582481 0.92 KDM4E (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16978610 0.92 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218441-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATEIRALS KOREA LTD (KR) 2015-08-06 US disclosed
US-20150218441-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATEIRALS KOREA LTD (KR) 2015-08-06 US disclosed