SCHEMBL16066643

SCHEMBL16066643

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8c8cc9ccccc9n87)c65)cc4)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 1/20 0.32
HDAC4 P56524 1/20 0.31
KMT2A Q03164 2/20 0.31
RXRA P19793 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
PTGER4 P35408 1/20 0.31
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL16066641 0.99 ATM (0.35) KDM4EATML3MBTL1NR3C1KMT2A
SCHEMBL16066638 0.96 NR3C1 (0.32) KDM4EATML3MBTL1NR3C1
SCHEMBL16067048 0.94 ATM (0.35) KDM4EATML3MBTL1NR3C1HDAC4
SCHEMBL16067044 0.93 ATM (0.36) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL16066660 0.93 PDE10A (0.33) KDM4EATML3MBTL1NR3C1KMT2A
SCHEMBL16067185 0.92 ATM (0.35) KDM4EATML3MBTL1NR3C1HDAC4
SCHEMBL16067187 0.91 ATM (0.36) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL16067024 0.90 KDM4E (0.32) KDM4EATML3MBTL1NR3C1
SCHEMBL16066772 0.90 KDM4E (0.33) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16066652 0.90 KDM4E (0.30) KDM4EATML3MBTL1

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed