SCHEMBL16613178

SCHEMBL16613178

NC1Cc2cccc(Oc3ccncc3)c2N(O)C1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 19/20 0.65
KYAT3 Q6YP21 4/20 0.47
KYAT1 Q16773 3/20 0.47
GOT1 P17174 1/20 0.47

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
SCHEMBL6763324 0.89 AADAT (0.70) AADATKYAT3KYAT1GOT1
SCHEMBL6763635 0.79 AADAT (1.00) AADATKYAT3KYAT1GOT1
SCHEMBL5132054 0.76 AADAT (0.70) AADATKYAT3KYAT1GOT1
SCHEMBL6763365 0.76 AADAT (0.74) AADATKYAT3KYAT1GOT1
SCHEMBL6763400 0.74 AADAT (0.77) AADATKYAT3KYAT1GOT1
SCHEMBL5132881 0.73 AADAT (0.65) AADATKYAT3KYAT1GOT1
Hydrochloric Acid SCHEMBL31448631 0.72 AADAT (0.51) AADATKYAT3KYAT1GOT1
SCHEMBL6763319 0.72 AADAT (0.57) AADATKYAT3KYAT1GOT1
SCHEMBL6763287 0.72 AADAT (1.00) AADATKYAT3KYAT1GOT1
SCHEMBL16613038 0.72 AADAT (0.68) AADATKYAT3KYAT1GOT1

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