SCHEMBL21676129

SCHEMBL21676129

c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccc6c(c5)-c5cccc7cccc-6c57)c34)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
ATM Q13315 2/20 0.31
L3MBTL1 Q9Y468 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
KDM4E B2RXH2 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
SCHEMBL21676136 1.00 PDE6D (0.32) PDE6DPDE10AALDH1A1TSHRMAPK1
SCHEMBL21676123 0.95 PDE6D (0.35) PDE6DALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676096 0.94 L3MBTL1 (0.36) PDE10AALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676143 0.94 L3MBTL1 (0.36) PDE10AALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676121 0.93 PDE10A (0.32) PDE10AALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676081 0.93 PDE10A (0.32) PDE10AALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21676149 0.92 ATM (0.33) PDE6DPDE10AALDH1A1TSHRMAPK1
SCHEMBL21676184 0.92 PDE6D (0.32) PDE6DPDE10AALDH1A1TSHRMAPK1
SCHEMBL21676138 0.90 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1HSD17B10ATM
SCHEMBL21676137 0.90 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1HSD17B10ATM

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