SCHEMBL22650653

SCHEMBL22650653

c1ccc(-n2c3ccccc3c3c4c5ccc6ccccc6c5n(-c5ccccc5)c4sc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 1/20 0.35
HSD17B10 Q99714 2/20 0.34
PRNP P04156 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HPRT1 P00492 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK8 P45983 2/20 0.33
KMT2A Q03164 2/20 0.33
IL1R1 P14778 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK9 P45984 1/20 0.32

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
SCHEMBL22650650 0.93 L3MBTL1 (0.39) L3MBTL1ATMKDM4ESIGMAR1HSD17B10
SCHEMBL22650655 0.92 KDM4E (0.38) L3MBTL1ATMKDM4ESIGMAR1HSD17B10
SCHEMBL22650657 0.90 L3MBTL1 (0.36) L3MBTL1ATMKDM4ESIGMAR1TSHR
SCHEMBL22650642 0.86 L3MBTL1 (0.36) L3MBTL1ATMKDM4EMAPK1RAB9A
SCHEMBL17367159 0.85 L3MBTL1 (0.41) L3MBTL1ATMKDM4ESIGMAR1HSD17B10
SCHEMBL22650889 0.84 L3MBTL1 (0.61) L3MBTL1ATMKDM4EHSD17B10TSHR
SCHEMBL21109304 0.83 KDM4E (0.48) L3MBTL1ATMKDM4ESIGMAR1HSD17B10
SCHEMBL19786513 0.82 KDM4E (0.47) L3MBTL1ATMKDM4ESIGMAR1HSD17B10
SCHEMBL17989777 0.82 L3MBTL1 (0.52) L3MBTL1ATMKDM4ESIGMAR1HSD17B10
SCHEMBL17367156 0.80 ATM (0.39) L3MBTL1ATMKDM4ESIGMAR1HSD17B10

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