SCHEMBL16612984

SCHEMBL16612984

C[C@H]1c2ccccc2N(O)C(=O)[C@@H]1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 13/20 1.00
KYAT3 Q6YP21 3/20 0.46
KYAT1 Q16773 2/20 0.46
GOT1 P17174 1/20 0.46
NOTUM Q6P988 1/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3779303 1.00 AADAT (1.00) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL3786010 1.00 AADAT (1.00) AADATKYAT3KYAT1GOT1NOTUM
Hydrochloric Acid SCHEMBL16612967 0.98 AADAT (0.97) AADATKYAT3KYAT1GOT1NOTUM
Hydrochloric Acid SCHEMBL16612968 0.98 AADAT (0.97) AADATKYAT3KYAT1GOT1NOTUM
Hydrochloric Acid SCHEMBL16612966 0.98 AADAT (0.97) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL6971389 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL31381632 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL4885859 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1GAA
SCHEMBL22631177 0.74 AADAT (0.58) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL3774105 0.71 AADAT (0.55) AADATGAAMAPK1KDM4EALDH1A1

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 claimed