SCHEMBL807920

SCHEMBL807920

C=C(/N=C(N)\N=C(/N)c1noc(C(C)CC)n1)N(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.33
POLB P06746 1/20 0.31
RECQL P46063 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
SCHEMBL808229 0.77 SIGMAR1 (0.32) SIGMAR1
SCHEMBL808347 0.76 HCRTR1 (0.34)
SCHEMBL808333 0.76 NPC1 (0.37) SIGMAR1POLB
SCHEMBL807994 0.75 SIGMAR1 (0.31) SIGMAR1
SCHEMBL807956 0.75 PRCP (0.35)
SCHEMBL808024 0.75 TSHR (0.37) SIGMAR1
SCHEMBL808221 0.75 SIGMAR1 (0.32) SIGMAR1POLBRECQL
SCHEMBL807906 0.74 SMN1; SMN2 (0.40)
SCHEMBL10287187 0.74 ALDH1A1 (0.45)
SCHEMBL808224 0.74 SIGMAR1 (0.32) SIGMAR1

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