SCHEMBL16613279

SCHEMBL16613279

c1ccc(-n2cc3nc(-n4c5ccccc5c5ccccc54)nc(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
ATM Q13315 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 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
SCHEMBL16613377 0.92 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613272 0.91 KDM4E (0.35) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613271 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613318 0.89 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613315 0.87 TUBB4A (0.35) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613320 0.87 KDM4E (0.36) KDM4EALDH1A1NPSR1L3MBTL1ATM
SCHEMBL16613379 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL17408324 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613298 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613292 0.84 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