SCHEMBL4584986

SCHEMBL4584986

Nc1nc(OCC2CCCO2)c2nc(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CNR2 P34972 5/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
FFAR2 O15552 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP7 P55210 1/20 0.36
RORC P51449 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL4534204 0.81 CDK2 (0.44)
SCHEMBL13500404 0.81 MAPK14 (0.40) POLBNPSR1CNR2RAB9AKDM4E
SCHEMBL4573490 0.79 MCHR1 (0.48) CNR2IRAK4FFAR2CNR1
SCHEMBL3617502 0.79 TSHR (0.44) CNR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3615790 0.78 GRIN2B (0.41) POLBNPSR1IRAK4FFAR2RAB9A
SCHEMBL3606838 0.78 CTSD (0.41) NPSR1CNR2IRAK4NPC1RAB9A
SCHEMBL3605500 0.78 FFAR2 (0.37) POLBNPSR1CNR2FFAR2NPC1
SCHEMBL3609937 0.76 ACACB (0.43) CNR2IRAK4NPC1RAB9AKDM4E
SCHEMBL3335280 0.76 RXFP1 (0.43) POLBNPSR1IRAK4ALDH1A1
SCHEMBL3600185 0.75 FFAR2 (0.40) POLBNPSR1IRAK4FFAR2NPC1

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-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed