SCHEMBL2196465

SCHEMBL2196465

OCc1cccc(-n2ccc3c(-c4ccccc4)cccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.51
EHMT2 Q96KQ7 1/20 0.51
EGFR P00533 3/20 0.46
SRC P12931 3/20 0.46
ABL1 P00519 2/20 0.46
CDK1 P06493 2/20 0.46
ABL2 P42684 2/20 0.46
CFTR P13569 1/20 0.44
HTR6 P50406 2/20 0.42
ASH1L Q9NR48 2/20 0.40
DHODH Q02127 1/20 0.39
WNK1 Q9H4A3 1/20 0.39
CCR2 P41597 1/20 0.39
COMT P21964 1/20 0.39
HSD11B1 P28845 1/20 0.37
KDR P35968 1/20 0.36
CSK P41240 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHPS P49366 1/20 0.36
PRKCI P41743 1/20 0.36

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
SCHEMBL2194262 0.88 SETD7 (0.48) SETD7EHMT2EGFRSRCABL1
SCHEMBL7962053 0.83 HTR6 (0.51) SETD7EHMT2HTR6ASH1LDHODH
SCHEMBL2190366 0.80 HTR6 (0.43) SETD7EHMT2HTR6ASH1LDHODH
SCHEMBL2192864 0.79 SETD7 (0.68) SETD7EHMT2RORC
SCHEMBL2191641 0.79 SETD7 (0.58) SETD7EHMT2DHODHCCR2HSD17B10
SCHEMBL2196761 0.79 SETD7 (0.81) SETD7EHMT2RORC
SCHEMBL2193530 0.79 SETD7 (0.48) SETD7EHMT2HTR6DHODHCCR2
SCHEMBL2192071 0.78 SETD7 (0.56) SETD7EHMT2ASH1LRORC
SCHEMBL19942852 0.77 HTR6 (0.45) SETD7EHMT2HTR6ASH1LDHODH
SCHEMBL2192976 0.77 SETD7 (0.55) SETD7EHMT2DHODHCCR2HSD17B10

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-2011082098-A1 LYSINE AND ARGININE METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER THE ROCKEFELLER UNIVERSITY (US) 2011-07-07 WO disclosed