SCHEMBL4540382

SCHEMBL4540382

Cc1cnc(C(Cl)CO)s1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 18/20 0.39
NOS1 P29475 1/20 0.38

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
SCHEMBL17018479 0.77 NOS1 (0.42) CTSANOS1
SCHEMBL17018453 0.77 NOS1 (0.42) CTSANOS1
Hydrochloric Acid SCHEMBL17007845 0.76 NOS1 (0.41) CTSANOS1
SCHEMBL3698239 0.74 NOS1 (0.39) CTSANOS1
SCHEMBL4542976 0.74 GUCY1B2 (0.39) CTSANOS1
SCHEMBL12179253 0.71
SCHEMBL765512 0.70
SCHEMBL13178692 0.69 NOS1 (0.41) CTSANOS1
SCHEMBL4532595 0.69 NOS1 (0.38) CTSANOS1
SCHEMBL16116375 0.69 CTSA (0.41) CTSANOS1

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed