SCHEMBL9065648

SCHEMBL9065648

COc1cccc(C(=O)C[C@H](N)C(=O)O)c1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
HIF1A Q16665 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GRIK3 Q13003 1/20 0.44
NPC1 O15118 2/20 0.42
CTSD P07339 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASR P41180 1/20 0.41
KMO O15229 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL7797478 0.87 NPC1 (0.56) KDM4EHIF1ATDP1GRIK1GRIK2
SCHEMBL7797480 0.87 NPC1 (0.56) KDM4EHIF1ATDP1GRIK1GRIK2
SCHEMBL7797468 0.87 NPC1 (0.56) KDM4EHIF1ATDP1GRIK1GRIK2
Hydrochloric Acid SCHEMBL27448520 0.85 NPC1 (0.55) KDM4EHIF1ATDP1GRIK1GRIK2
Hydrochloric Acid SCHEMBL27416697 0.85 NPC1 (0.55) KDM4EHIF1ATDP1GRIK1GRIK2
Hydrochloric Acid SCHEMBL27416698 0.85 NPC1 (0.55) KDM4EHIF1ATDP1GRIK1GRIK2
SCHEMBL29934345 0.82 KDM4E (1.00) KDM4EHIF1ATDP1CASRKMO
SCHEMBL29352838 0.82 KDM4E (1.00) KDM4EHIF1ATDP1CASRKMO
SCHEMBL29375641 0.82 KDM4E (1.00) KDM4EHIF1ATDP1CASRKMO
SCHEMBL17641540 0.82 KDM4E (1.00) KDM4EHIF1ATDP1CASRKMO

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