SCHEMBL16613240

SCHEMBL16613240

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4ccccc43)nc3cscc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 1/20 0.35
PTGER1 P34995 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
DUSP3 P51452 1/20 0.32
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL16613344 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613481 0.89 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613252 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613260 0.86 TUBB4A (0.34) KDM4EALDH1A1HPGDMAPTDUSP3
SCHEMBL16613251 0.86 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL16613345 0.85 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613253 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613246 0.84 KDM4E (0.40) KDM4EL3MBTL1HSD17B10ATMDUSP3
SCHEMBL16613233 0.84 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613230 0.84 PTGER1 (0.32) PTGER1

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