SCHEMBL1180087

SCHEMBL1180087

c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CYP1A2 P05177 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 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
SCHEMBL31196694 1.00 GSTP1 (0.44) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL17470322 0.94 ESR1 (0.40) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL17811587 0.93 ESR1 (0.39) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL75575 0.90 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL13658671 0.90 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL14069638 0.90 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL29776752 0.90 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL212509 0.90 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL29462710 0.90 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL3692438 0.89 PTGS2 (0.40) GSTP1ESR1ESR2ALOX5MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150207103-A1 LIGHT-EMITTING DEVICE PIONEER CORPORATION (JP) 2015-07-23 US disclosed
US-20140151669-A1 LIGHT-EMITTING DEVICE AND DISPLAY PANEL PIONEER CORPORATION (JP) 2014-06-05 US disclosed
US-20110042695-A1 LIGHT EMITTING DEVICE AND DISPLAY PANEL PIONEER CORPORATION (JP) 2011-02-24 US disclosed