SCHEMBL16613272

SCHEMBL16613272

c1ccc(-n2cc3nc(-n4c5ccccc5c5ccccc54)nc(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
ATM Q13315 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL16613291 0.92 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613279 0.91 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613318 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613320 0.89 KDM4E (0.36) KDM4EALDH1A1NPSR1L3MBTL1ATM
SCHEMBL16613319 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613298 0.88 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613292 0.86 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19271520 0.86 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613377 0.84 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613271 0.83 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed