SCHEMBL8604751

SCHEMBL8604751

O=C(O)c1cn2c(C(O)C(=O)O)c(Cl)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
IGFBP3 P17936 1/20 0.32
KMO O15229 3/20 0.32
DPP4 P27487 1/20 0.31
NOTUM Q6P988 1/20 0.30
GAA P10253 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 1/20 0.30
TTR P02766 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8606950 0.81 PTGS1 (0.35) PTGS1PTGS2GABRA2GABRB2KMO
SCHEMBL8605900 0.80 PTGS1 (0.42) PTGS1PTGS2GABRA2GABRB2KMO
SCHEMBL9753444 0.77 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL8610107 0.75 PTGS1 (0.47) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL8608877 0.72 PTGS1 (0.39) PTGS1PTGS2GABRA2GABRB2
SCHEMBL9753756 0.71
SCHEMBL8605176 0.71 PTGS1 (0.42) PTGS1PTGS2GABRA2GABRB2GAA
Methyl Alcohol SCHEMBL9753579 0.70 PTGS1 (0.37) PTGS1PTGS2GABRA2GABRB2GAA
SCHEMBL8607758 0.70 PTGS1 (0.53) PTGS1PTGS2KDM4E
SCHEMBL8606701 0.69 PTGS1 (0.36) PTGS1PTGS2GABRA2GABRB2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed