SCHEMBL17809359

SCHEMBL17809359

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6ccc54)cc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
BRCA1 P38398 1/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL17809352 0.92 MEN1 (0.33) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL17246156 0.91 ALDH1A1 (0.34) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL18124840 0.91 KDM4E (0.37) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL18593827 0.91 KDM4E (0.37) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL27415917 0.90 PLA2G2A (0.36) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL17809131 0.88 ALOX5 (0.33) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL21365780 0.88 TSHR (0.36) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL16811441 0.87 ALOX5 (0.38) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL16811429 0.87 ALOX5 (0.38) ALOX5ALDH1A1MEN1KMT2APOLB
SCHEMBL16811436 0.87 ALOX5 (0.36) ALOX5ALDH1A1MEN1KMT2APOLB

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-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed