SCHEMBL16613253

SCHEMBL16613253

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cscc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 5/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ATM Q13315 3/20 0.33
KMT2A Q03164 3/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
USP2 O75604 1/20 0.32
S1PR2 O95136 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.31

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
SCHEMBL16613232 0.94 KDM4E (0.39) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613252 0.92 KDM4E (0.44) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613344 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613482 0.89 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL13877324 0.86 ALDH1A1 (0.53) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613345 0.85 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613240 0.85 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613245 0.84 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613243 0.84 KDM4E (0.31) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613542 0.81 ALDH1A1 (0.38) 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