SCHEMBL2194283

SCHEMBL2194283

CC(C)(C)c1ccc(-c2cccc3c2ccn3-c2cccc(CNc3cccc(C(=O)O)c3)c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.84
EHMT2 Q96KQ7 1/20 0.84
RORC P51449 1/20 0.47
NR1H4 Q96RI1 4/20 0.46
PPARA Q07869 4/20 0.43
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2194005 0.91 SETD7 (1.00) SETD7EHMT2RORCNR1H4PPARA
SCHEMBL29365843 0.91 SETD7 (1.00) SETD7EHMT2RORCNR1H4PPARA
SCHEMBL2196761 0.90 SETD7 (0.81) SETD7EHMT2RORCPPARAHIF1A
SCHEMBL2191400 0.89 SETD7 (0.67) SETD7EHMT2F2F10PRSS1
SCHEMBL2192864 0.81 SETD7 (0.68) SETD7EHMT2RORCHIF1AF2
SCHEMBL12492311 0.80 SETD7 (0.66) SETD7EHMT2RORCPPARAHIF1A
SCHEMBL12492228 0.79 SETD7 (0.65) SETD7EHMT2RORCHIF1AF2
SCHEMBL12491602 0.78 SETD7 (0.63) SETD7EHMT2RORCPPARAHIF1A
SCHEMBL12489925 0.77 SETD7 (0.75) SETD7EHMT2RORCNR1H4PPARA
SCHEMBL2192171 0.77 SETD7 (0.60) SETD7EHMT2RORCNPC1RAB9A

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