SCHEMBL807976

SCHEMBL807976

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(N)cn2)n1)N(C)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL808247 0.81 STAT3 (0.30)
SCHEMBL808229 0.80 SIGMAR1 (0.32) SIGMAR1
SCHEMBL10287199 0.80 GABRA5 (0.39)
SCHEMBL808224 0.80 SIGMAR1 (0.32) SIGMAR1
SCHEMBL808333 0.79 NPC1 (0.37) SIGMAR1
SCHEMBL807994 0.79 SIGMAR1 (0.31) SIGMAR1
SCHEMBL808221 0.78 SIGMAR1 (0.32) SIGMAR1
SCHEMBL808234 0.78 HDAC6 (0.34)
SCHEMBL10287187 0.78 ALDH1A1 (0.45)
SCHEMBL807906 0.78 SMN1; SMN2 (0.40)

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