SCHEMBL31501774

SCHEMBL31501774

N#Cc1ccc(-c2ccc(Cl)cc2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TMPRSS4 Q9NRS4 1/20 0.40
MAP2 P11137 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP3 P08254 1/20 0.38
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GSK3B P49841 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MDM2 Q00987 1/20 0.36
AHR P35869 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL26180968 1.00 MAOA (0.43) MAOAMAOBTMPRSS4MAP2KMT2A
SCHEMBL25233030 0.89 MAOA (0.43) MAOAMAOBKMT2AKDM1ALMNA
SCHEMBL30805707 0.82 AHR (0.45) LMNAAHRALDH1A1
SCHEMBL21031787 0.82 AHR (0.45) LMNAAHRALDH1A1
SCHEMBL13319615 0.79 MMP3 (0.45) MAOAMAOBKMT2AMMP3TSHR
SCHEMBL26805882 0.79 GCGR (0.41) KMT2ALMNAMAPTHTTAHR
SCHEMBL25582514 0.79 MAOA (0.43) MAOAMAOBKDM1ALMNAMAPT
SCHEMBL25587690 0.78 EGLN2 (0.45) MAPTKDM4E
SCHEMBL22115308 0.76 KIF11 (0.45) MAOAMAOBTMPRSS4MAP2KMT2A
SCHEMBL5320765 0.76 AHR (0.35) TSHRHTTCA1CA2AHR

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
CN-119798178-A Novel compound and organic light emitting device using the same 株式会社LG化学 2025-04-11 CN disclosed