SCHEMBL16596992

SCHEMBL16596992

c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc6c5c4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PRKDC P78527 4/20 0.38
GGPS1 O95749 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
BRCA1 P38398 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL1635556 0.96 ALOX5 (0.44) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL14882809 0.96 ALOX5 (0.44) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL16482584 0.96 ALOX5 (0.50) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL1637132 0.96 ALOX5 (0.44) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL17249473 0.96 ALOX5 (0.44) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL26725341 0.96 ALOX5 (0.50) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL18252599 0.95 ALOX5 (0.43) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL10038506 0.95 ALOX5 (0.43) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL1635886 0.95 ALOX5 (0.43) ALOX5KDM4EATML3MBTL1PRKDC
SCHEMBL5028462 0.95 ALOX5 (0.45) ALOX5KDM4EATML3MBTL1PRKDC

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
WO-2015041492-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-03-26 WO disclosed