SCHEMBL4662276

SCHEMBL4662276

CCOC(=NS(=O)(=O)c1cccc(C)c1)OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
FBP1 P09467 11/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
HCRTR2 O43614 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
SCHEMBL10728018 0.80 F2 (0.58) KMT2AALDH1A1HPGDF2PRSS1
SCHEMBL3279948 0.75 KMT2A (0.51) KMT2AFBP1ALDH1A1F2PKM
SCHEMBL30986723 0.74 FBP1 (0.59) KMT2AFBP1ALDH1A1HPGDHIF1A
SCHEMBL6920157 0.74 KMT2A (0.53) KMT2AFBP1ALDH1A1HPGDCYP1A2
SCHEMBL1706529 0.73 POLB (0.46) KMT2AFBP1HPGDHIF1APKM
SCHEMBL1706722 0.73 POLB (0.46) KMT2AFBP1HPGDHIF1APKM
SCHEMBL7509196 0.72 GAA (0.65) KMT2AFBP1ALDH1A1HPGDHCRTR2
SCHEMBL27596170 0.71 KMT2A (0.44) KMT2AFBP1ALDH1A1F2PKM
SCHEMBL1706810 0.71 KMT2A (0.55) KMT2AFBP1ALDH1A1PKM
SCHEMBL10984108 0.71 F2 (0.46) KMT2AALDH1A1HPGDF2PRSS1

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
EP-2003975-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2008-12-24 EP disclosed
WO-2007113119-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2007-10-11 WO disclosed