SCHEMBL23459661

SCHEMBL23459661

CC(C)c1cc(N)cc2c1nc(N)n2N

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 2/20 0.34
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 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
SCHEMBL5597800 0.66 NOS2 (0.37) NOS2
SCHEMBL2155116 0.63 ALDH1A1 (0.38) —
SCHEMBL2154892 0.63 GABRA1 (0.39) NOS2NOS3NOS1
SCHEMBL12946293 0.62 CLK4 (0.35) —
SCHEMBL12946292 0.62 CASR (0.43) —
SCHEMBL12913590 0.62 CASR (0.40) —
SCHEMBL23459658 0.62 RPS6KA3 (0.38) —
SCHEMBL17383538 0.61 ALDH1A1 (0.43) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL5431425 0.61 GAA (0.38) —
SCHEMBL20314909 0.60 PRKCI (0.42) —

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-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 — — WO disclosed
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