SCHEMBL9753401

SCHEMBL9753401

O=C(O)c1cn2c(C(O)c3nnn[nH]3)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9753691 0.83 GAA (0.37) PTGS1PTGS2GAA
SCHEMBL8608493 0.80
SCHEMBL9753444 0.80 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL8610010 0.77 PTGS1 (0.41) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL8610107 0.76 PTGS1 (0.47) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL9753677 0.75 GAA (0.37) PTGS1PTGS2GAA
SCHEMBL8608070 0.75 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL8607694 0.74 PTGS1 (0.39) PTGS1PTGS2GAAKDM4EALOX15
SCHEMBL9753978 0.74 GAA (0.35) PTGS1PTGS2GAA
SCHEMBL9753704 0.72

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-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
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