SCHEMBL28294000

SCHEMBL28294000

C[S+]([O-])C1=Nc2c(Cl)cccc2C(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7415088 0.75 ALDH1A1 (0.33) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL28294007 0.73 MAPT (0.34) ACHEMAPTKDM4EMEN1ALDH1A1
SCHEMBL9185130 0.73 MAPT (0.34) ACHEMAPTKDM4EMEN1ALDH1A1
SCHEMBL25112085 0.61 ACHE (0.41) ACHEALDH1A1L3MBTL1
SCHEMBL2821364 0.61 MAPT (0.52) MAPTKDM4EALDH1A1KMT2A
SCHEMBL9177075 0.59 KMT2A (0.41) ACHEMAPTKDM4EMEN1ALDH1A1
SCHEMBL17733568 0.59 CYP1A2 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL3853426 0.57 AHR (0.39) ACHEMAPTKDM4EMEN1ALDH1A1
1,2-Dichlorobenzene SCHEMBL2922912 0.56 TSHR (0.62) ALDH1A1
SCHEMBL15109080 0.55 TSHR (0.45) ALDH1A1

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-109715159-A Anticancer medicine composition 国立癌症中心 2019-05-03 CN claimed
CN-109715607-A Compounds that inhibit the formation of the C-MYC/MAX/DNA complex 国立癌症中心 2019-05-03 CN claimed