SCHEMBL16613639

SCHEMBL16613639

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)nc4ccn(-c5ccccc5)c34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 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
SCHEMBL16613630 0.98 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613570 0.94 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613568 0.93 KDM4E (0.30) KDM4EL3MBTL1ATM
SCHEMBL15596399 0.92 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613724 0.90 DUSP3 (0.30)
SCHEMBL16613679 0.90 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613680 0.90 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL15596395 0.89 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613593 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613249 0.87 ALDH1A1 (0.34) 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