SCHEMBL21676130

SCHEMBL21676130

c1ccc(-n2c3ccc4ccccc4c3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR4 O00206 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE6D O43924 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
SCHEMBL21676076 1.00 L3MBTL1 (0.36) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL27216738 0.93 KDM4E (0.40) L3MBTL1KDM4EATMMAPK14TLR4
SCHEMBL21676142 0.93 L3MBTL1 (0.33) L3MBTL1KDM4EATMALDH1A1HPGD
SCHEMBL21676068 0.92 L3MBTL1 (0.35) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL21676135 0.92 L3MBTL1 (0.35) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL21676176 0.91 L3MBTL1 (0.39) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL21676084 0.91 L3MBTL1 (0.36) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL17341213 0.91 L3MBTL1 (0.37) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL17071106 0.89 L3MBTL1 (0.36) L3MBTL1KDM4EATMMAPK14ALDH1A1
SCHEMBL21676054 0.88 PDE6D (0.36) L3MBTL1KDM4EATMMAPK14ALDH1A1

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