SCHEMBL17845253

SCHEMBL17845253

O=NS(=O)(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
RAD52 P43351 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MMP12 P39900 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL17845255 0.88 PRKCI (0.49) PRKCICYP3A4NAMPTXDHKDM4E
Potassium Ion SCHEMBL2918768 0.79 PRKCI (0.42) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL27786197 0.79 PRKCI (0.42) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL1266021 0.79 MMP12 (0.42) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL4429284 0.79 PRKCI (0.42) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL571363 0.79 PRKCI (0.42) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL362000 0.79 POLB (0.50) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL28975737 0.78 HDAC6 (0.41) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL2918763 0.78 HDAC6 (0.41) PRKCICYP3A4NAMPTXDHKDM4E
SCHEMBL11783635 0.77 JAK2 (0.41) 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 2 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
WO-2016097749-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-23 WO disclosed