SCHEMBL23728406

SCHEMBL23728406

Clc1ccc2sc3cc4c5c(c6ccccc6n5c5cccc6c7ccccc7n4c65)c3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 5/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
IDO1 P14902 2/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
GPR3 P46089 1/20 0.31
PMM2 O15305 1/20 0.31
G6PD P11413 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 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
SCHEMBL23728322 0.83 KDM4E (0.45) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23723207 0.79 KDM4E (0.37) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23728395 0.78 KDM4E (0.36) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23728368 0.78 KDM4E (0.38) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23288304 0.77 KDM4E (0.39) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL30388677 0.77 KDM4E (0.46) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL25196461 0.77 KDM4E (0.46) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23723201 0.77 MAPT (0.46) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23288158 0.76 KDM4E (0.40) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL23288194 0.74 KDM4E (0.38) KDM4EMAPTMEN1ALDH1A1POLB

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-2021153931-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-05 WO disclosed