SCHEMBL21676069

SCHEMBL21676069

c1ccc(-n2c3ccccc3c3c2ccc2c4c5ccccc5ccc4n(-c4cc5c6c(cccc6c4)-c4ccccc4-5)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ANPEP P15144 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
PDE10A Q9Y233 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 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
SCHEMBL21676036 1.00 L3MBTL1 (0.38) L3MBTL1ATMKDM4EANPEPALDH1A1
SCHEMBL21676122 0.94 PDE6D (0.33) L3MBTL1ATMKDM4EANPEPALDH1A1
SCHEMBL21676061 0.94 PDE6D (0.33) L3MBTL1ATMKDM4EANPEPALDH1A1
SCHEMBL21676121 0.93 PDE10A (0.32) L3MBTL1ATMKDM4EANPEPALDH1A1
SCHEMBL21676081 0.93 PDE10A (0.32) L3MBTL1ATMKDM4EANPEPALDH1A1
SCHEMBL21676132 0.92 ANPEP (0.34) L3MBTL1ATMANPEPALDH1A1TSHR
SCHEMBL21676064 0.92 ANPEP (0.34) L3MBTL1ATMANPEPALDH1A1TSHR
SCHEMBL21676131 0.92 ANPEP (0.36) L3MBTL1ATMANPEPALDH1A1TSHR
SCHEMBL21676143 0.91 L3MBTL1 (0.36) L3MBTL1ATMKDM4EANPEPALDH1A1
SCHEMBL21676157 0.91 L3MBTL1 (0.41) L3MBTL1ATMKDM4EANPEPALDH1A1

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