SCHEMBL1583799

SCHEMBL1583799

O=C(O)c1nc2c(C(F)(F)F)cccn2c1I

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.44
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RORC P51449 9/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NR1H3 Q13133 3/20 0.36
NR1H2 P55055 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 0.35
KMO O15229 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL1583891 0.83 USP7 (0.44) USP7RORCPTGS1PTGS2NR1H3
SCHEMBL9893228 0.80 USP7 (0.41) USP7CNR1CNR2RORCPTGS1
SCHEMBL1583244 0.75 USP7 (0.46) USP7RORCNR1H3NR1H2
SCHEMBL3687402 0.73 PIN1 (0.41) PTGS1PTGS2KMOPOLB
SCHEMBL15766422 0.71 USP7 (0.41) USP7RORCNR1H3NR1H2
SCHEMBL1584050 0.70 USP7 (0.41) USP7RORCNR1H3NR1H2PPARG
SCHEMBL3069553 0.70 KDM4E (0.44) USP7NR1H3NR1H2CYP1A2POLB
SCHEMBL30871207 0.70 PTGS1 (0.37) USP7RORCPTGS1PTGS2MEN1
SCHEMBL15767520 0.69 USP7 (0.42) USP7NR1H3NR1H2
SCHEMBL15558634 0.69 PTGS1 (0.66) PTGS1PTGS2KMT2ARXFP1

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-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed