SCHEMBL28801720

SCHEMBL28801720

O=C(O)c1cccc(SCc2ccccc2)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 2/20 0.58
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 2/20 0.50
PTPRC P08575 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
AR P10275 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL1901284 0.84 PTPRG (0.67) PTPRGKMT2AL3MBTL1ALDH1A1CYP2C9
SCHEMBL31203723 0.84 L3MBTL1 (0.56) PTPRGKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL25221315 0.84 L3MBTL1 (0.56) PTPRGKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL25270436 0.82 TSHR (0.51) PTPRGKMT2AL3MBTL1ALDH1A1CYP2C9
SCHEMBL13802463 0.80 PTPRG (0.70) PTPRGKMT2AL3MBTL1MEN1PTPRC
SCHEMBL6291181 0.78 KMT2A (0.60) PTPRGKMT2AL3MBTL1ALDH1A1CYP2C9
SCHEMBL11729716 0.78 KMT2A (0.64) PTPRGKMT2AL3MBTL1ALDH1A1CYP2C9
SCHEMBL15143413 0.77 PTPRG (0.51) PTPRGKMT2AL3MBTL1ALDH1A1CYP2C9
SCHEMBL25612496 0.77 POLB (0.50) PTPRGKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL29276541 0.76 TSHR (0.47) PTPRGALDH1A1CYP2C9TSHRCYP1A2

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-102731354-A Preparation and plant growth-regulating activity of water-oil soluble o-(4-chloro) benzylthio-benzoate derivatives UNIV NANKAI 2012-10-17 CN disclosed
CN-102731354-A Preparation and plant growth-regulating activity of water-oil soluble o-(4-chloro) benzylthio-benzoate derivatives UNIV NANKAI 2012-10-17 CN disclosed