SCHEMBL2190366

SCHEMBL2190366

Nc1cccc(-n2ccc3c(-c4ccccc4)cccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
SETD7 Q8WTS6 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.39
ASH1L Q9NR48 2/20 0.39
DHODH Q02127 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKCA P17252 1/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAD51 Q06609 1/20 0.36
MAPK14 Q16539 1/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL7962053 0.86 HTR6 (0.51) HTR6SETD7EHMT2HSD11B1ASH1L
SCHEMBL2196465 0.80 SETD7 (0.51) HTR6SETD7EHMT2TSHRHSD11B1
SCHEMBL19942852 0.80 HTR6 (0.45) HTR6SETD7EHMT2HSD11B1ASH1L
SCHEMBL2194262 0.79 SETD7 (0.48) HTR6SETD7EHMT2TSHRHSD11B1
SCHEMBL2193408 0.79 FGFR1 (0.49) HTR6SETD7EHMT2HSD11B1ASH1L
SCHEMBL6847772 0.77 DYRK1A (0.47) HTR6MAPTTSHRHSD11B1DHODH
SCHEMBL17366403 0.74 HTR6 (0.42) HTR6MAPTSETD7EHMT2HSD11B1
SCHEMBL19867977 0.73 SETD7 (0.47) HTR6MAPTSETD7EHMT2TSHR
SCHEMBL6846191 0.72 DHPS (0.50) HTR6MAPTHSD11B1GSK3BMAPK14
SCHEMBL22007114 0.72 SETD7 (0.39) HTR6SETD7EHMT2HSD11B1ASH1L

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