SCHEMBL21393342

SCHEMBL21393342

C=Nc1nc(N)ccc1C=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.34
BACE1 P56817 7/20 0.33
NCF1 P14598 2/20 0.32
NCK1 P16333 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21393683 0.81 ALDH1A1 (0.38) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL21895421 0.74 NCK1 (0.32) PLAUBACE1NCK1
SCHEMBL21393367 0.73 NQO1 (0.36)
SCHEMBL7261717 0.73 PLAU (0.40) PLAUBACE1NCF1NCK1NOS2
SCHEMBL29749869 0.71 NOS2 (0.54) PLAUBACE1NCF1NCK1NOS2
SCHEMBL13723997 0.71 NOS2 (0.54) PLAUBACE1NCF1NCK1NOS2
SCHEMBL8181408 0.69 TRIM24 (0.45) PLAUBACE1NCF1NCK1NOS2
SCHEMBL12189339 0.69 ALDH1A1 (0.44) PLAUBACE1NCF1NCK1NOS2
SCHEMBL30023734 0.65 NCF1 (0.44) PLAUBACE1NCF1NCK1NOS2
SCHEMBL27886744 0.65 BACE1 (0.44) PLAUBACE1NCF1NCK1NOS2

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed