SCHEMBL9039079

SCHEMBL9039079

Nc1cccc(Br)c1C(=O)C[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMO O15229 3/20 0.43
KYNU Q16719 3/20 0.41
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 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
SCHEMBL975884 0.83 KDM4E (0.63) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL30852338 0.81 KMO (0.51) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL31520067 0.81 KMO (0.51) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL30852376 0.81 KMO (0.51) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL1305231 0.81 KMO (0.51) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL7415502 0.78 KMO (0.41) KDM4EHIF1ATDP1KMOSLC1A3
SCHEMBL24591475 0.78 CA12 (0.47) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL9340027 0.78 KDM4E (0.47) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL1332674 0.78 CA12 (0.47) KDM4EHIF1ATDP1KMOKYNU
SCHEMBL7416410 0.76 KMO (0.46) KDM4EHIF1ATDP1KMOSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed