SCHEMBL22650655

SCHEMBL22650655

c1ccc(-n2c3sc4c(c5ccccc5n4-c4ccc5ccccc5c4)c3c3ccc4ccccc4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.36
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDE7A Q13946 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MEN1 O00255 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
SCHEMBL22650653 0.92 L3MBTL1 (0.44) KDM4EATML3MBTL1HPGDALDH1A1
SCHEMBL22650650 0.89 L3MBTL1 (0.39) KDM4EATML3MBTL1ALDH1A1SIGMAR1
SCHEMBL22650657 0.88 L3MBTL1 (0.36) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL17989828 0.85 KDM4E (0.44) KDM4EATML3MBTL1HPGDPMM2
SCHEMBL21108830 0.84 KDM4E (0.39) KDM4EATML3MBTL1HPGDPMM2
SCHEMBL17367124 0.82 KDM4E (0.39) KDM4EATML3MBTL1HPGDPMM2
SCHEMBL17367107 0.81 KDM4E (0.41) KDM4EATML3MBTL1HPGDPMM2
SCHEMBL17989806 0.80 KDM4E (0.47) KDM4EATML3MBTL1HPGDPMM2
SCHEMBL26374642 0.80 KDM4E (0.36) KDM4EATML3MBTL1HPGDPMM2
SCHEMBL16482777 0.80 KDM4E (0.43) KDM4EATML3MBTL1HPGDPMM2

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