SCHEMBL28824752

SCHEMBL28824752

Clc1ccc(C2CN2Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
RORC P51449 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRM1 P35372 1/20 0.45
ALDH1A1 P00352 2/20 0.44
DRD4 P21917 1/20 0.44
KDM1A O60341 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL28824744 0.84 OPRM1 (0.44) SIGMAR1OPRM1MAPT
SCHEMBL28824734 0.84 RORC (0.52) RORCMEN1KMT2AOPRM1ALDH1A1
SCHEMBL23064641 0.80 DRD2 (0.54) SIGMAR1RORCMEN1KMT2AOPRM1
SCHEMBL28824750 0.80 OPRM1 (0.44) SIGMAR1MEN1KMT2AOPRM1KDM1A
SCHEMBL28824755 0.80 LMNA (0.51) SIGMAR1MEN1KMT2AALDH1A1BCHE
SCHEMBL7107798 0.79 TP53 (0.58) SIGMAR1RORCMEN1KMT2AALDH1A1
SCHEMBL31612476 0.77 SIGMAR1 (0.45) SIGMAR1RORCMEN1KMT2AALDH1A1
SCHEMBL6497571 0.76 CFB (0.47) SIGMAR1RORCMEN1KMT2AALDH1A1
SCHEMBL11708798 0.76 MEN1 (0.43) SIGMAR1RORCMEN1KMT2AOPRM1
SCHEMBL13891233 0.75 PRKCZ (0.45) DRD4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114941145-B Synthesis method of aziridine derivatives 天津理工大学 2023-08-18 CN disclosed
CN-114941145-A Synthetic method of aziridine derivative 天津理工大学 2022-08-26 CN disclosed