SCHEMBL22650642

SCHEMBL22650642

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccc7ccccc7c6n(-c6ccccc6)c5sc43)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
IL1R1 P14778 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL22650978 0.87 KDM4E (0.32) KDM4EABCG2
SCHEMBL22650653 0.86 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL21432132 0.86 L3MBTL1 (0.37) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL17990455 0.86 L3MBTL1 (0.37) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL20315560 0.86 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL22650650 0.85 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL20315595 0.84 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL20315608 0.84 L3MBTL1 (0.36) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL22650663 0.83 CYP1B1 (0.35) MAPTNPC1LMNARAB9ARECQL
SCHEMBL22650657 0.82 L3MBTL1 (0.36) L3MBTL1KDM4EATMKMT2AMAPT

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