SCHEMBL1584050

SCHEMBL1584050

O=C(OBr)c1nc2c(C(F)(F)F)cccn2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.41
NR1H3 Q13133 10/20 0.35
NR1H2 P55055 8/20 0.35
BRD4 O60885 1/20 0.35
RORC P51449 3/20 0.33
PPARG P37231 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3069553 0.87 KDM4E (0.44) USP7NR1H3NR1H2BRD4MAPT
SCHEMBL1583891 0.84 USP7 (0.44) USP7NR1H3NR1H2RORCPPARG
SCHEMBL1583799 0.70 USP7 (0.44) USP7NR1H3NR1H2RORCPPARG
SCHEMBL9924030 0.70 KDM4E (0.45) USP7NR1H3NR1H2MAPTRAB9A
SCHEMBL3071037 0.70 RBP4 (0.39) USP7
SCHEMBL3063204 0.68 P2RX7 (0.43)
SCHEMBL9893228 0.68 USP7 (0.41) USP7NR1H3NR1H2RORCMAPT
SCHEMBL1583159 0.68 NOTUM (0.40) MAPTNPC1RAB9A
SCHEMBL13229232 0.67 P2RX7 (0.42) USP7RORC
SCHEMBL875798 0.67 USP7 (0.43) USP7NR1H3NR1H2

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