SCHEMBL15089166

SCHEMBL15089166

c1ccc(-c2cc(-c3ccccc3)nc(N3c4cc5c(cc4-c4ccc(-c6ccccn6)c6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 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
SCHEMBL15088895 0.93 CYP2A6 (0.35) DHODH
SCHEMBL15089217 0.92 METAP1 (0.33) MAPK14
SCHEMBL15089082 0.91 PDE6D (0.35) DHODHTSHRMAPK1HSD17B10
SCHEMBL15088821 0.90 METAP1 (0.34)
SCHEMBL15089198 0.90 COMT (0.32) MAPK14
SCHEMBL15088820 0.89 KDM4E (0.30) MAPK1
SCHEMBL15088917 0.88 CYP19A1 (0.34) DHODH
SCHEMBL15089171 0.88 COMT (0.33) MAPK14
SCHEMBL15089170 0.87 TSHR (0.32) DHODHTSHRMAPK1HSD17B10MAPK14
SCHEMBL15089245 0.86 PDE6D (0.36) DHODH

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed