SCHEMBL20028656

SCHEMBL20028656

COC(=O)c1nc(C)[nH]c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
XDH P47989 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
RNASEH1 O60930 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSNK2A1 P68400 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
STAT3 P40763 1/20 0.34
HIF1A Q16665 1/20 0.34
F2 P00734 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
SCHEMBL4841941 0.82 NPSR1 (0.52) NPSR1XDHKDM4CRNASEH1ERCC1
SCHEMBL14736371 0.78 NPSR1 (0.52) NPSR1KDM4CRNASEH1MAPTHTT
SCHEMBL12697348 0.74 ERCC1 (0.57) NPSR1KDM4CRNASEH1HTTERCC1
SCHEMBL16210782 0.73 KDM4C (0.42) NPSR1XDHKDM4CMAPTHTT
SCHEMBL20477252 0.72 RNASEH1 (0.68) NPSR1RNASEH1MAPTERCC1FEN1
SCHEMBL7049789 0.72 NPSR1 (0.44) NPSR1KDM4CRNASEH1MAPTERCC1
SCHEMBL27750200 0.72 NPSR1 (0.44) NPSR1KDM4CRNASEH1MAPTERCC1
SCHEMBL14602381 0.70 NPSR1 (0.42) NPSR1KDM4CRNASEH1MAPTERCC1
SCHEMBL7995185 0.69 ALDH1A1 (0.51) NPSR1MAPTHTTERCC1FEN1
SCHEMBL24596263 0.69 NPSR1 (0.45) NPSR1KDM4CMEN1KMT2ASMN1; SMN2

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed