SCHEMBL16021429

SCHEMBL16021429

c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6ccc7cccc8c7c6c(c5)n8-c5ccc6ccccc6c5)cc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ MAPK10 P53779 5/20 0.36
▸ MAPK9 P45984 4/20 0.36
▸ PDE6D O43924 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ NR3C1 P04150 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
SCHEMBL16021456 0.92 ESR1 (0.39) HSD17B1HSD17B2ESR1ESR2PDE6D
SCHEMBL16369512 0.92 MAPK10 (0.41) HSD17B1HSD17B2MAPK10MAPK9CYP19A1
SCHEMBL16021448 0.90 ATM (0.37) HSD17B1HSD17B2ESR1ESR2PDE6D
SCHEMBL16021472 0.90 ATM (0.37) HSD17B1HSD17B2ESR1ESR2PDE6D
SCHEMBL16021526 0.90 ATM (0.37) HSD17B1HSD17B2ESR1ESR2PDE6D
SCHEMBL16369508 0.90 PDE6D (0.39) HSD17B1HSD17B2ESR1ESR2PDE6D
SCHEMBL16870786 0.90 PDE6D (0.39) HSD17B1HSD17B2ESR1ESR2PDE6D
SCHEMBL18744402 0.90 MAPK10 (0.42) HSD17B1HSD17B2ESR1ESR2MAPK10
SCHEMBL15706109 0.90 MAPK10 (0.34) HSD17B1HSD17B2ESR1ESR2MAPK10
SCHEMBL15706110 0.89 MAPK10 (0.33) HSD17B1HSD17B2ESR1ESR2MAPK10

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-9406890-B2 Compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-02 — — US disclosed
US-9406890-B2 Compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-02 — — US disclosed
US-20140252323-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-11 — — US disclosed
US-20140252323-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-11 — — US disclosed
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