SCHEMBL17811573

SCHEMBL17811573

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.37
BCL2L1 Q07817 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MGLL Q99685 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL6212117 0.98 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL15038424 0.98 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL29776672 0.98 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL15685954 0.98 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL16385447 0.98 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL17811577 0.96 ALDH1A1 (0.42) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL24910350 0.96 ALDH1A1 (0.40) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL16385730 0.96 ALDH1A1 (0.40) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL29398033 0.96 ALDH1A1 (0.40) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL16385506 0.96 ALDH1A1 (0.40) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1

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-20160163982-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163982-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed