SCHEMBL9316669

SCHEMBL9316669

N#Cn1c(Br)cc(Br)c1-c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
CNR1 P21554 2/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AHR P35869 2/20 0.32
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL9316723 0.67 PTGS1 (0.38) ARKDM4EALDH1A1GAAPTGS1
SCHEMBL9703660 0.67 AR (0.51) ARKDM4EALDH1A1GAAMCL1
SCHEMBL9343745 0.66 MEN1 (0.30) MEN1KMT2A
SCHEMBL9519227 0.60 GRIA2 (0.42) ARKDM4EALDH1A1GAAUSP2
SCHEMBL9019044 0.60 MAOA (0.38) KDM4EALDH1A1USP2THRBL3MBTL1
SCHEMBL23447634 0.60 MDM2 (0.50) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL25233030 0.60 MAOA (0.43) KDM4EALDH1A1CNR1AHRTDP1
SCHEMBL14907135 0.60 AHR (0.48) PTGS1PTGS2AHRLMNA
SCHEMBL9019046 0.59 L3MBTL1 (0.41) KDM4EALDH1A1GAAPTGS1PTGS2
SCHEMBL9933261 0.57 HTR2A (0.54) PTGS1PTGS2USP2MEN1KMT2A

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
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US claimed