SCHEMBL21676149

SCHEMBL21676149

c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6c7ccccc7ccc6n5-c5ccc6c(c5)-c5cccc7cccc-6c57)c43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE6D O43924 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 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
SCHEMBL21676158 0.95 PDE6D (0.35) ATML3MBTL1KDM4EPDE6DALDH1A1
SCHEMBL21676165 0.94 L3MBTL1 (0.39) ATML3MBTL1KDM4EPDE10AALDH1A1
SCHEMBL21676136 0.92 PDE6D (0.32) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL21676129 0.92 PDE6D (0.32) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL21676184 0.92 PDE6D (0.32) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL19213857 0.90 PDE6D (0.34) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL19213855 0.90 PDE6D (0.34) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL25132108 0.88 ALDH1A1 (0.37) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL21676154 0.88 PDE10A (0.32) ATML3MBTL1KDM4EPDE6DPDE10A
SCHEMBL21676177 0.88 L3MBTL1 (0.38) ATML3MBTL1KDM4EALDH1A1TSHR

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-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed