SCHEMBL28850754

SCHEMBL28850754

Oc1cc(O)c2sncc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.34
APP P05067 1/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
XPO1 O14980 1/20 0.31
NQO1 P15559 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
SCHEMBL910839 0.70 KDM4E (0.39) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL911074 0.70 GAA (0.44) HPGDALDH1A1GAAMAPTHTT
SCHEMBL28176894 0.65 ALDH1A1 (0.36) NQO2HPGDALDH1A1GAAMAPT
SCHEMBL15018796 0.62 NQO2 (0.40) NQO2APPHPGDMAPTMEN1
SCHEMBL911755 0.61 ESR2 (0.41) HPGDALDH1A1GAAMAPTHTT
SCHEMBL704787 0.59 ANTXR2 (0.50) NQO2HPGDALDH1A1GAAMEN1
SCHEMBL29386163 0.59 ANTXR2 (0.50) NQO2HPGDALDH1A1GAAMEN1
SCHEMBL28176846 0.59 IDO1 (0.36) APPHPGDALDH1A1GAAMAPT
SCHEMBL3883602 0.59 CYP3A4 (0.39) NQO2APPHPGDALDH1A1MAPT
SCHEMBL23501440 0.58 TRPM5 (0.43) HPGD

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
CN-107257793-A Anti- worm compound, composition and its application method 梅里亚股份有限公司 2017-10-17 CN disclosed