SCHEMBL21742258

SCHEMBL21742258

CCC(C)(C)n1c(=O)[nH]c(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
CYP1A2 P05177 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 9/20 0.42
ALDH1A1 P00352 2/20 0.42
LCK P06239 1/20 0.38
PRKACA P17612 1/20 0.38
CSNK2A2 P19784 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RCE1 Q9Y256 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL20968807 0.83 PARP1 (0.44) DAOCYP1A2MEN1KMT2APARP1
SCHEMBL18948019 0.82 CYP1A2 (0.60) DAOCYP1A2MEN1KMT2AALDH1A1
SCHEMBL6468879 0.79 CYP1A2 (0.48) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6027805 0.78 CYP1A2 (0.64) DAOCYP1A2MEN1KMT2APARP1
SCHEMBL29654412 0.78 PKM (0.42) DAOCYP1A2MEN1KMT2APARP1
SCHEMBL17501689 0.78 PKM (0.42) DAOCYP1A2MEN1KMT2APARP1
SCHEMBL6294025 0.75 PARP1 (0.46) DAOCYP1A2MEN1KMT2APARP1
SCHEMBL6028786 0.73 PGR (0.60) DAOPARP1ALDH1A1KDM4EHPGD
SCHEMBL29528989 0.73 PGR (0.60) DAOPARP1ALDH1A1KDM4EHPGD
SCHEMBL7750879 0.72 PGR (0.55) DAOPARP1ALDH1A1PARP2KDM4E

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
US-20200056173-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2020-02-20 US disclosed