SCHEMBL21676183

SCHEMBL21676183

c1ccc(-n2c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5cccc7cccc-6c57)c4c3c3ccc4ccccc4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
CASP7 P55210 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ANPEP P15144 1/20 0.32
BRD1 O95696 1/20 0.31
LMNA P02545 1/20 0.30
DUSP3 P51452 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
SCHEMBL21676184 0.94 PDE6D (0.32) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL21676167 0.94 ALDH1A1 (0.36) L3MBTL1ATMALDH1A1TSHRMAPK1
SCHEMBL21676087 0.94 L3MBTL1 (0.36) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL21676143 0.91 L3MBTL1 (0.36) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL21676096 0.91 L3MBTL1 (0.36) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL21676165 0.91 L3MBTL1 (0.39) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL17341253 0.91 ALDH1A1 (0.40) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL19213679 0.89 ATM (0.38) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL19213676 0.89 ATM (0.38) L3MBTL1ATMKDM4EALDH1A1TSHR
SCHEMBL21676151 0.89 PDE6D (0.35) L3MBTL1ATMKDM4EALDH1A1TSHR

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