SCHEMBL8397341

SCHEMBL8397341

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.51
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOS2 P35228 2/20 0.49
RECQL P46063 1/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
GRIK1 P39086 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
FADS1 O60427 1/20 0.42

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
SCHEMBL7967428 1.00 KMO (0.51) KMOKDM4EHIF1ATDP1NOS2
SCHEMBL30852448 1.00 KMO (0.51) KMOKDM4EHIF1ATDP1NOS2
SCHEMBL8397345 1.00 KMO (0.51) KMOKDM4EHIF1ATDP1NOS2
SCHEMBL30852441 1.00 KMO (0.51) KMOKDM4EHIF1ATDP1NOS2
SCHEMBL8396747 0.98 KMO (0.50) KMOKDM4EHIF1ATDP1NOS2
SCHEMBL8396761 0.98 KMO (0.50) KMOKDM4EHIF1ATDP1NOS2
Av-101 SCHEMBL5286788 0.88 KMO (0.51) KMOKDM4EHIF1ATDP1SLC1A3
Av-101 SCHEMBL727370 0.88 KMO (0.51) KMOKDM4EHIF1ATDP1SLC1A3
Av-101 SCHEMBL30852264 0.88 KMO (0.51) KMOKDM4EHIF1ATDP1SLC1A3
Av-101 SCHEMBL18742668 0.88 KMO (0.51) KMOKDM4EHIF1ATDP1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663899-B1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS UNIV MARYLAND (US) 1999-06-30 EP disclosed
EP-0919538-A1 Substituted kynurenines, a process for their preparation, and use as medicaments THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1999-06-02 EP disclosed
US-5786508-A ENZYME INHIBITOR; COGNITION ACTIVATOR PHARMACIA & UPJOHN S.P.A. (IT) 1998-07-28 US disclosed
EP-0663899-A4 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS. UNIV MARYLAND (US) 1996-01-17 EP disclosed
CN-1113386-A Substituted kynurenines, a process for their preparation, and use as medicaments UNIV MARYLAND (US) 1995-12-13 CN disclosed
EP-0663899-A1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-07-26 EP disclosed
WO-1995004714-A1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-02-16 WO disclosed