SCHEMBL9065283

SCHEMBL9065283

N[C@@H](CSc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.44
DTYMK P23919 1/20 0.43
GRM4 Q14833 2/20 0.41
GRM8 O00222 1/20 0.41
KMO O15229 1/20 0.40
GRIA2 P42262 1/20 0.39

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
SCHEMBL6053554 0.81 GRIK1 (0.48) GRM4GRM8KMO
SCHEMBL6053553 0.81 GRIK1 (0.48) GRM4GRM8KMO
SCHEMBL9066405 0.78 PRNP (0.42) CASP6DTYMK
SCHEMBL9064821 0.77 GRM8 (0.49) GRM4GRM8KMO
SCHEMBL8610040 0.75 KDM4E (0.52) GRM4GRM8
SCHEMBL2003176 0.75 KDM4E (0.52) GRM4GRM8
SCHEMBL8904293 0.75 KDM4E (0.52) GRM4GRM8
SCHEMBL8963352 0.75 MAPT (0.61) GRM4GRM8KMO
SCHEMBL8964242 0.75 MAPT (0.61) GRM4GRM8KMO
SCHEMBL14508392 0.75 DTYMK (0.66) CASP6DTYMKGRM4GRM8KMO

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 claimed
EP-0581907-A4 1994-04-06 EP claimed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP claimed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO claimed
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US 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
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO disclosed