SCHEMBL16613344

SCHEMBL16613344

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3cscc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 2/20 0.43
NUDT1 P36639 3/20 0.37
ADORA2A P29274 2/20 0.37
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL16613252 0.97 KDM4E (0.44) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613253 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613232 0.91 KDM4E (0.39) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613345 0.89 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613240 0.89 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613360 0.88 ALDH1A1 (0.39) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613233 0.86 ALDH1A1 (0.35) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613542 0.86 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL12015686 0.85 ALDH1A1 (0.63) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613245 0.84 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1MAPT

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