SCHEMBL17845255

SCHEMBL17845255

O=NS(=O)(=O)c1ccc2nc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
CYP3A4 P08684 1/20 0.47
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
RAD52 P43351 1/20 0.47
MMP12 P39900 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FEN1 P39748 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL17845253 0.88 PRKCI (0.40) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL27786200 0.79 PRKCI (0.52) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL571364 0.79 PRKCI (0.52) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL4429286 0.79 PRKCI (0.52) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL29724218 0.79 PRKCI (0.52) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL362001 0.79 POLB (0.58) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL1266025 0.79 PRKCI (0.52) PRKCICYP3A4NAMPTXDHKDM4E
Potassium SCHEMBL2918771 0.77 PRKCI (0.50) PRKCICYP3A4NAMPTXDHKDM4E
Hydrochloric Acid SCHEMBL11090118 0.77 KDM4E (0.53) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL11783649 0.76 MMP12 (0.49) PRKCICYP3A4NAMPTXDHKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233845-A1 PARG INHIBITORY COMPOUNDS Cancer Research Technology Limited (GB) 2017-10-25 EP disclosed
CN-107295799-A Parg inhibiting compounds 癌症研究科技有限公司 2017-10-24 CN disclosed
WO-2016097749-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-23 WO disclosed