SCHEMBL807958

SCHEMBL807958

C=C(/N=C(N)\N=C(/N)c1noc(C2CCN(S(=O)(=O)C(C)CC)CC2)n1)Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMYD3 Q9H7B4 1/20 0.34
SMO Q99835 1/20 0.34
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRCP P42785 1/20 0.33
EPHX2 P34913 1/20 0.32
CCR5 P51681 2/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM4 P08173 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TUBB4A P04350 1/20 0.31

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
SCHEMBL10287788 0.92 LMNA (0.38) LMNAHTTNPC1RAB9ASMYD3
SCHEMBL10287790 0.86 LMNA (0.38) LMNAHTTNPC1RAB9ASMO
SCHEMBL807957 0.86 LMNA (0.41) LMNAHTTNPC1RAB9ASMYD3
SCHEMBL10286916 0.77 ALDH1A1 (0.38) LMNAHTTNPC1RAB9ASMO
SCHEMBL808223 0.75 LMNA (0.43) LMNAHTTNPC1RAB9ASMO
SCHEMBL808048 0.73 LMNA (0.36) LMNAHTTNPC1RAB9ASMO
SCHEMBL10286918 0.72 GAA (0.39) LMNAHTTNPC1RAB9ASMO
SCHEMBL797212 0.71 LMNA (0.43) LMNAHTTNPC1RAB9ASMO
SCHEMBL807956 0.69 PRCP (0.35) SMOGAAPRCPEPHX2KCNH2
SCHEMBL808022 0.69 LMNA (0.35) LMNAHTTNPC1RAB9AGAA

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