SCHEMBL17850804

SCHEMBL17850804

C[C@@H](Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 19/20 0.67
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL17835774 1.00 NOX1 (0.67) NOX1MEN1NPC1RAB9AKMT2A
SCHEMBL17835878 0.87 NOX1 (0.79) NOX1
SCHEMBL17835548 0.87 NOX1 (0.79) NOX1
SCHEMBL17835653 0.87 NOX1 (0.79) NOX1
SCHEMBL31317816 0.84 NOX1 (0.82) NOX1
SCHEMBL17835484 0.84 NOX1 (0.82) NOX1
SCHEMBL17835483 0.84 NOX1 (0.82) NOX1
SCHEMBL17835763 0.84 NOX1 (0.82) NOX1
SCHEMBL17835486 0.83 NPC1 (0.68) NOX1MEN1NPC1RAB9AKMT2A
SCHEMBL17835687 0.82 NOX1 (0.74) NOX1

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
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP disclosed