SCHEMBL2194262

SCHEMBL2194262

BrCc1cccc(-n2ccc3c(-c4ccccc4)cccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
HTR6 P50406 2/20 0.41
HSD11B1 P28845 1/20 0.36
ASH1L Q9NR48 2/20 0.36
DHODH Q02127 1/20 0.36
WNK1 Q9H4A3 1/20 0.36
EGFR P00533 2/20 0.36
SRC P12931 2/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
ABL2 P42684 1/20 0.36
CCR2 P41597 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NR1H3 Q13133 1/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDR P35968 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
SCHEMBL2196465 0.88 SETD7 (0.51) SETD7EHMT2HTR6HSD11B1ASH1L
SCHEMBL7962053 0.82 HTR6 (0.51) SETD7EHMT2HTR6HSD11B1ASH1L
SCHEMBL2190366 0.79 HTR6 (0.43) SETD7EHMT2HTR6HSD11B1ASH1L
SCHEMBL19942852 0.76 HTR6 (0.45) SETD7EHMT2HTR6HSD11B1ASH1L
SCHEMBL2192864 0.76 SETD7 (0.68) SETD7EHMT2F2F10PRSS1
SCHEMBL2191641 0.76 SETD7 (0.58) SETD7EHMT2DHODHCCR2HSD17B10
SCHEMBL2193408 0.76 FGFR1 (0.49) SETD7EHMT2HTR6HSD11B1ASH1L
SCHEMBL2196761 0.75 SETD7 (0.81) SETD7EHMT2ALDH1A1F2F10
SCHEMBL2193530 0.75 SETD7 (0.48) SETD7EHMT2HTR6DHODHCCR2
SCHEMBL2192071 0.74 SETD7 (0.56) SETD7EHMT2ASH1LALDH1A1RORC

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