SCHEMBL13624441

SCHEMBL13624441

CC(=O)COc1ccc(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 8/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
F2 P00734 1/20 0.38
DAO P14920 1/20 0.38
KMT2A Q03164 6/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL4070283 0.83 KMT2A (0.47) GSK3BALDH1A1HPGDF2DAO
SCHEMBL4393404 0.80 ALDH1A1 (0.46) ALDH1A1HPGDPOLBCASP3SENP8
SCHEMBL7003234 0.75 F2 (0.42) GSK3BALDH1A1HPGDPOLBCASP3
SCHEMBL25080938 0.69 SMN1; SMN2 (0.39) KMT2ARAB9AHTTSMN1; SMN2MEN1
SCHEMBL1024697 0.68 F2 (0.43) GSK3BALDH1A1HPGDPOLBCASP3
SCHEMBL486042 0.68 DAO (0.48) GSK3BALDH1A1HPGDPOLBCASP3
SCHEMBL8189892 0.68 POLB (0.40) GSK3BALDH1A1HPGDPOLBF2
SCHEMBL11008232 0.68 KMT2A (0.39) ALDH1A1HPGDPOLBDAOKMT2A
SCHEMBL27935754 0.68 ALDH1A1 (0.42) GSK3BALDH1A1HPGDPOLBCASP3
SCHEMBL4239545 0.67 ALDH1A1 (0.50) GSK3BALDH1A1HPGDF2DAO

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
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed