SCHEMBL16612975

SCHEMBL16612975

COc1ccc(Oc2cnc3c(c2)C[C@H](N)C(=O)N3O)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 12/20 0.52
KYAT3 Q6YP21 3/20 0.52
KYAT1 Q16773 2/20 0.52
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SLC22A12 Q96S37 4/20 0.38
DCK P27707 2/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3779699 0.86 AADAT (0.45) AADATKYAT3KYAT1
SCHEMBL3773972 0.84 AADAT (0.59) AADATKYAT3KYAT1
SCHEMBL16613064 0.83 AADAT (0.46) AADATKYAT3KYAT1SLC22A12
SCHEMBL16612930 0.83 AADAT (0.46) AADATKYAT3KYAT1SLC22A12
SCHEMBL3785886 0.81 AADAT (0.56) AADATKYAT3KYAT1
SCHEMBL3776005 0.81 AADAT (0.50) AADATKYAT3KYAT1
SCHEMBL6763330 0.81 AADAT (0.56) AADATKYAT3KYAT1
SCHEMBL3774699 0.81 AADAT (0.51) AADATKYAT3KYAT1
SCHEMBL16612957 0.80 GPR119 (0.39) AADATKYAT3KYAT1SLC22A12
SCHEMBL3784051 0.77 AADAT (0.43) AADATKYAT3KYAT1

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-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed