SCHEMBL17033809

SCHEMBL17033809

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6cc7c8ccccc8c8ccccc8n7c6ccc54)n3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GP6 Q9HCN6 1/20 0.31
TSPO P30536 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 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
SCHEMBL17033865 0.93 MEN1 (0.33) KDM4ETSHRHSD17B10TSPOATM
SCHEMBL17033787 0.93 KDM4E (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033859 0.90 KDM4E (0.37) KDM4ETSPOATML3MBTL1
SCHEMBL17033817 0.89 TUBB4A (0.31) KDM4ETSHRHSD17B10TSPO
SCHEMBL17033780 0.88 KDM4E (0.38) KDM4ETSHRATML3MBTL1
SCHEMBL17033554 0.87 GP6 (0.32) GP6
SCHEMBL17033786 0.87 GRM5 (0.34) KDM4ETSHRHSD17B10
SCHEMBL17033466 0.87 GP6 (0.34) KDM4ETSHRHSD17B10GP6TSPO
SCHEMBL20152137 0.86 GP6 (0.36) GP6ATML3MBTL1
SCHEMBL16066254 0.86 GP6 (0.32) GP6

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed