SCHEMBL22650657

SCHEMBL22650657

c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccc7ccccc7c6n(-c6ccccc6)c5sc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KMT2A Q03164 3/20 0.33
IL1R1 P14778 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
FAAH O00519 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
MGLL Q99685 1/20 0.31
WNK1 Q9H4A3 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL22650650 0.91 L3MBTL1 (0.39) L3MBTL1ATMKDM4ECYP1A1CYP1B1
SCHEMBL22650653 0.90 L3MBTL1 (0.44) L3MBTL1ATMKDM4EKMT2AIL1R1
SCHEMBL22650655 0.88 KDM4E (0.38) L3MBTL1ATMKDM4EKMT2AALDH1A1
SCHEMBL22186225 0.85 L3MBTL1 (0.41) L3MBTL1ATMKDM4ECYP1A1CYP1B1
SCHEMBL19359858 0.84 ATM (0.39) L3MBTL1ATMKDM4ECYP1A1CYP1B1
SCHEMBL22186717 0.83 L3MBTL1 (0.40) L3MBTL1ATMKDM4EKMT2AIL1R1
SCHEMBL22650642 0.82 L3MBTL1 (0.36) L3MBTL1ATMKDM4EKMT2AIL1R1
SCHEMBL23195499 0.82 ATM (0.44) L3MBTL1ATMKDM4ECYP1A1CYP1B1
SCHEMBL22186502 0.82 L3MBTL1 (0.41) L3MBTL1ATMKDM4ECYP1A1CYP1B1
SCHEMBL21369386 0.82 L3MBTL1 (0.41) L3MBTL1ATMKDM4ECYP1A1CYP1B1

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