SCHEMBL2194005

SCHEMBL2194005

O=C(O)c1cccc(NCc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 1.00
EHMT2 Q96KQ7 1/20 1.00
PPARA Q07869 5/20 0.51
RORC P51449 1/20 0.47
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
FFAR1 O14842 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
ENPP2 Q13822 1/20 0.41
TDO2 P48775 1/20 0.41
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
SERPINE1 P05121 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
SCHEMBL29365843 1.00 SETD7 (1.00) SETD7EHMT2PPARARORCF2
SCHEMBL2194283 0.91 SETD7 (0.84) SETD7EHMT2PPARARORCF2
SCHEMBL2196761 0.90 SETD7 (0.81) SETD7EHMT2PPARARORCF2
SCHEMBL12489925 0.86 SETD7 (0.75) SETD7EHMT2PPARARORCFFAR1
SCHEMBL12489923 0.86 SETD7 (0.75) SETD7EHMT2PPARARORCF2
SCHEMBL12489920 0.81 SETD7 (0.68) SETD7EHMT2PPARAFFAR1NR1H4
SCHEMBL2192864 0.81 SETD7 (0.68) SETD7EHMT2RORCF2F10
SCHEMBL12492333 0.81 SETD7 (0.68) SETD7EHMT2
SCHEMBL2191400 0.80 SETD7 (0.67) SETD7EHMT2F2F10PRSS1
SCHEMBL12492311 0.80 SETD7 (0.66) SETD7EHMT2PPARARORCF2

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