SCHEMBL15775233

SCHEMBL15775233

CCC1=NC(=O)c2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
S100A4 P26447 2/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PTPRC P08575 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
GPR35 Q9HC97 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL15775198 0.86 MAPT (0.39) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL15775349 0.77 PARP1 (0.37) MAPTRECQLKMT2APTPRCALDH1A1
SCHEMBL15775583 0.75 TDP1 (0.49) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL15775915 0.72 MAPT (0.40) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL15775768 0.72 KMT2A (0.40) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL15775318 0.72 HTR7 (0.42) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL8499259 0.72 MAPT (0.66) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL331390 0.72 S100A4 (0.46) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL15775327 0.69 KMT2A (0.38) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9194546 0.69 S100A4 (0.46) MAPTRECQLKMT2AMCL1RXFP1

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed