SCHEMBL23728368

SCHEMBL23728368

Clc1ccc2c(c1)sc1ccc3c4cccc5c4n(c4cccc6c7ccccc7n5c64)c3c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
BCKDK O14874 1/20 0.31
MCL1 Q07820 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31
TOP1 P11387 1/20 0.31
TOP2A P11388 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 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
SCHEMBL23728216 0.83 MAPT (0.35) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23723207 0.83 KDM4E (0.37) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23728322 0.80 KDM4E (0.45) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL21453478 0.79 GPR3 (0.39) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL21454078 0.78 GPR3 (0.38) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23728406 0.78 KDM4E (0.45) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL21453520 0.77 GPR3 (0.37) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL30388677 0.76 KDM4E (0.46) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL25196461 0.76 KDM4E (0.46) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23723201 0.76 MAPT (0.46) KDM4EMEN1ALDH1A1POLBMAPT

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