SCHEMBL22650889

SCHEMBL22650889

c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4sc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPK8 P45983 2/20 0.41
IL1R1 P14778 1/20 0.41
PGR P06401 2/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK9 P45984 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL17367760 0.85 ATM (0.53) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL14315727 0.85 KDM4E (0.44) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL22650653 0.84 L3MBTL1 (0.44) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL17367162 0.83 L3MBTL1 (0.47) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL19039435 0.82 L3MBTL1 (0.41) L3MBTL1ATMKDM4EHSD17B10KMT2A
SCHEMBL22038402 0.81 L3MBTL1 (0.48) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL23310179 0.79 L3MBTL1 (0.47) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL17367129 0.79 L3MBTL1 (0.52) L3MBTL1ATMKDM4EHSD17B10MAPK1
SCHEMBL16606511 0.79 ATM (0.47) L3MBTL1ATMKDM4EHSD17B10KMT2A
SCHEMBL22011979 0.78 L3MBTL1 (0.67) L3MBTL1ATMKDM4EHSD17B10MAPK1

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed