SCHEMBL9065248

SCHEMBL9065248

Nc1ccc(F)cc1C(=O)C[C@H](N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMO O15229 3/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
FADS1 O60427 1/20 0.39
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL31520066 1.00 KEAP1 (0.57) KEAP1KDM4EHIF1ATDP1KMO
SCHEMBL30852503 1.00 KEAP1 (0.57) KEAP1KDM4EHIF1ATDP1KMO
SCHEMBL8400389 1.00 KEAP1 (0.57) KEAP1KDM4EHIF1ATDP1KMO
SCHEMBL30852388 1.00 KEAP1 (0.57) KEAP1KDM4EHIF1ATDP1KMO
SCHEMBL288000 0.83 KDM4E (0.55) KDM4EHIF1ATDP1KMO
SCHEMBL30853452 0.83 KDM4E (0.55) KDM4EHIF1ATDP1KMO
SCHEMBL30853450 0.83 KDM4E (0.55) KDM4EHIF1ATDP1KMO
SCHEMBL17629412 0.83 KDM4E (0.55) KDM4EHIF1ATDP1KMO
SCHEMBL288161 0.83 KDM4E (0.55) KDM4EHIF1ATDP1KMO
SCHEMBL30852381 0.83 KDM4E (0.55) KDM4EHIF1ATDP1KMO

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
US-5495044-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-02-27 US disclosed
US-5442104-A Neurological disorders UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-08-15 US disclosed
WO-1995011878-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-05-04 WO disclosed
EP-0581907-A4 1994-04-06 EP disclosed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP disclosed
US-5254725-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO disclosed