SCHEMBL9065305

SCHEMBL9065305

CC(=O)N[C@@H](CSc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PRNP P04156 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PAM P19021 1/20 0.39
ACE P12821 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL11070847 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTPRNPNPSR1
SCHEMBL8905165 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTPRNPNPSR1
SCHEMBL15564842 0.83 PPARA (0.55) ACE
SCHEMBL15564841 0.83 PPARA (0.55) ACE
SCHEMBL13554636 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTSHRCYP1A2
SCHEMBL13555268 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTSHRCYP1A2
SCHEMBL9066405 0.80 PRNP (0.42) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL15586930 0.79 GLA (0.38) ALDH1A1KDM4EMAPTTSHRCYP1A2
SCHEMBL12569086 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTSHRCYP1A2
SCHEMBL12569143 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTSHRCYP1A2

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 6 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
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
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO disclosed