SCHEMBL808237

SCHEMBL808237

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(C(=O)NCC3CC3)nc2)n1)N(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
MAPK14 Q16539 1/20 0.37
USP30 Q70CQ3 1/20 0.37
GABRA1 P14867 2/20 0.37
CNR1 P21554 1/20 0.35
NAPEPLD Q6IQ20 10/20 0.35
MLLT1 Q03111 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
SCHEMBL808236 0.89 TSHR (0.39) USP30GABRA1MLLT1
SCHEMBL10286912 0.87 GABRA1 (0.36) HIF1AGABRA1NAPEPLD
SCHEMBL10287152 0.86 HDAC6 (0.34)
SCHEMBL808234 0.85 HDAC6 (0.34)
SCHEMBL10287197 0.83 CPT2 (0.33)
SCHEMBL10287297 0.82 ACACB (0.36)
SCHEMBL808241 0.81 HDAC6 (0.33)
SCHEMBL808159 0.80 ACHE (0.31)
SCHEMBL807936 0.78 KCNH2 (0.32) USP30
SCHEMBL808331 0.77 KCNH2 (0.32) USP30

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