SCHEMBL31657

SCHEMBL31657

c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC4 P56524 1/20 0.32
APP P05067 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALOX5 P09917 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL22901018 0.99 HSD17B10 (0.37) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL31785 0.98 ATM (0.39) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL31890 0.95 HSD17B10 (0.39) HSD17B10ATMKDM4EL3MBTL1TP53
SCHEMBL31704 0.94 ATM (0.41) HSD17B10ATMKDM4EL3MBTL1TP53
SCHEMBL16806345 0.92 HSD17B10 (0.38) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL17690858 0.92 L3MBTL1 (0.41) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL10014563 0.92 L3MBTL1 (0.42) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL31776 0.92 ATM (0.37) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL18645830 0.91 ATM (0.38) HSD17B10ATMKDM4EL3MBTL1HDAC4
SCHEMBL22901006 0.91 ALOX5 (0.34) HSD17B10ATMKDM4EL3MBTL1APP

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed