SCHEMBL23618345

SCHEMBL23618345

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5cccc(-n6c7ccccc7c7ccccc76)c45)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.42
ALDH1A1 P00352 3/20 0.35
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
APP P05067 1/20 0.32
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
MPI P34949 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 1/20 0.31
BAD Q92934 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL26767564 0.92 PDE6D (0.36) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL25686194 0.92 PDE6D (0.39) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL25686266 0.92 PDE6D (0.39) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL24725976 0.92 PDE6D (0.39) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL27011939 0.91 PDE6D (0.37) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL25686097 0.89 PDE6D (0.36) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL27012089 0.88 PDE6D (0.34) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL26767395 0.88 PDE6D (0.34) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL25686001 0.88 PDE6D (0.38) PDE6DALDH1A1MAPK14KDM4EATM
SCHEMBL22837605 0.87 L3MBTL1 (0.42) PDE6DALDH1A1MAPK14KDM4EATM

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-2021135542-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed