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SCHEMBL17033437

SCHEMBL17033437

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)n3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

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
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17033775 0.93 MEN1 (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033444 0.93 KDM4E (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033741 0.92 TSPO (0.34) KDM4ETSHRHSD17B10ATMMEN1
SCHEMBL17033441 0.90 KDM4E (0.34) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL17033456 0.89 KDM4E (0.30) KDM4ETSHRHSD17B10MEN1MAPT
SCHEMBL17033888 0.89 LIMK1 (0.32) —
SCHEMBL17033459 0.88 KDM4E (0.35) KDM4ETSHRATML3MBTL1MEN1
SCHEMBL17033911 0.88 LIMK1 (0.33) —
SCHEMBL17033604 0.87 GP6 (0.33) KDM4ETSHRHSD17B10GP6
SCHEMBL17033445 0.87 MCL1 (0.35) KDM4ETSHRMAPT

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