SCHEMBL808347

SCHEMBL808347

C=C(/N=C(N)\N=C(/N)c1noc(-c2cccnc2OCC)n1)N(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.34
HCRTR2 O43614 13/20 0.34
TTR P02766 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL807906 0.82 SMN1; SMN2 (0.40) NPSR1ALDH1A1HSD17B10MEN1HPGD
SCHEMBL808229 0.79 SIGMAR1 (0.32)
SCHEMBL10287560 0.78 HDAC4 (0.33)
SCHEMBL807994 0.77 SIGMAR1 (0.31)
SCHEMBL10287187 0.76 ALDH1A1 (0.45) NPSR1ALDH1A1HSD17B10HPGDKMT2A
SCHEMBL807920 0.76 SIGMAR1 (0.33)
SCHEMBL808333 0.76 NPC1 (0.37) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL807976 0.75 SIGMAR1 (0.31)
SCHEMBL808221 0.75 SIGMAR1 (0.32)
SCHEMBL808224 0.74 SIGMAR1 (0.32)

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed