SCHEMBL15089170

SCHEMBL15089170

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)N(c3ccccc3)c3cccc4c(-c6ccccn6)ccc-5c34)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK14 Q16539 1/20 0.31
DHODH Q02127 1/20 0.31
GRM5 P41594 1/20 0.31
PDE6D O43924 1/20 0.30

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
SCHEMBL15088933 0.94 TSHR (0.31) TSHRMAPK1HSD17B10MAPK14DHODH
SCHEMBL15089211 0.92 MAPK14 (0.33) MAPK14GRM5PDE6D
SCHEMBL15089196 0.92 MAPK14 (0.34) MAPK14DHODHGRM5
SCHEMBL15088894 0.90 GRM5 (0.32) TSHRMAPK1HSD17B10MAPK14GRM5
SCHEMBL15089200 0.89 GRM5 (0.36) MAPK14GRM5
SCHEMBL15089219 0.87 MAPK14 (0.36) MAPK14
SCHEMBL15089166 0.87 DHODH (0.32) TSHRMAPK1HSD17B10MAPK14DHODH
SCHEMBL15089175 0.87 HTR1A (0.34) MAPK14GRM5
SCHEMBL15089037 0.85 PDE6D (0.44) PDE6D
SCHEMBL15089239 0.85 PDE6D (0.44) MAPK14GRM5PDE6D

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