SCHEMBL23107835

SCHEMBL23107835

CN(C)c1noc(-c2cccc(CN(C)c3ccc4[nH]nc(C(=O)O)c4c3)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 17/20 0.73
▸ NTRK1 P04629 1/20 0.39
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ SLC16A3 O15427 1/20 0.36
▸ SLC16A1 P53985 1/20 0.36

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
SCHEMBL23092888 0.88 HAO1 (0.66) HAO1NTRK1PRKAG1PRKAA1PRKAB1
SCHEMBL23092914 0.87 HAO1 (0.62) HAO1
SCHEMBL23092926 0.84 HAO1 (1.00) HAO1
SCHEMBL23092887 0.83 HAO1 (1.00) HAO1
SCHEMBL23092915 0.80 HAO1 (1.00) HAO1NTRK1
SCHEMBL23093153 0.80 HAO1 (1.00) HAO1NTRK1PRKAG1PRKAA1PRKAB1
SCHEMBL23093037 0.78 HAO1 (1.00) HAO1NTRK1PRKAG1PRKAA1PRKAB1
SCHEMBL23107868 0.76 HAO1 (1.00) HAO1
SCHEMBL23107869 0.75 HAO1 (0.77) HAO1
SCHEMBL23092928 0.74 HAO1 (0.79) HAO1NTRK1

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-2021050688-A1 COMPOUNDS AND USES THEREOF X-CHEM, INC. (US) 2021-03-18 — — WO disclosed
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