SCHEMBL16613481

SCHEMBL16613481

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3cscc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.32
PTGER1 P34995 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL16613360 0.91 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613456 0.90
SCHEMBL16613361 0.90 ALDH1A1 (0.32) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL16613542 0.89 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613240 0.89 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613543 0.88 FLT3 (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613482 0.87 ALDH1A1 (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613422 0.87 MAPT (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613455 0.87 NQO2 (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613423 0.86 KDM4E (0.33) KDM4EL3MBTL1

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