SCHEMBL23028811

SCHEMBL23028811

c1ccc(N(c2ccccc2)c2ccc(C34c5ccccc5Sc5cccc(c53)Sc3ccccc34)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
APP P05067 1/20 0.32
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL23028807 0.94 APP (0.35) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL22169981 0.92 MAPT (0.38) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL23028826 0.85 KDM4E (0.36) MAPTKDM4EMEN1KMT2AAPP
SCHEMBL23028812 0.83 GPR3 (0.33) CYP1A2
SCHEMBL23028806 0.81 MEN1 (0.33) MAPTALDH1A1CYP1A2CYP3A4TDP1
SCHEMBL23697280 0.80 MEN1 (0.40) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL16787257 0.79 KDM4E (0.32) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL23696706 0.79 MEN1 (0.39) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL17900016 0.79 L3MBTL1 (0.33) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL24184683 0.78 KDM4E (0.33) MAPTKDM4EMEN1KMT2ALMNA

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-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed