SCHEMBL8607702

SCHEMBL8607702

COC(Cc1ccc2nc(C(=O)O)cn2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.41
PPARD Q03181 4/20 0.41
EGLN1 Q9GZT9 5/20 0.40
CPB2 Q96IY4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SRR Q9GZT4 2/20 0.35
FFAR1 O14842 1/20 0.35
PSAT1 Q9Y617 1/20 0.35
METTL3 Q86U44 1/20 0.35

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
SCHEMBL8608527 0.88 PTGS1 (0.42) PTGS1PTGS2EGLN1KDM4EPOLB
SCHEMBL8608600 0.81 PPARG (0.39) PPARGPPARAPPARDEGLN1CPB2
SCHEMBL8609927 0.81 PTGS1 (0.48) PTGS1PTGS2EGLN1CPB2KDM4E
SCHEMBL8608923 0.78 RXFP1 (0.39) PTGS1PTGS2PPARGPPARAPPARD
SCHEMBL8606803 0.77 CPB2 (0.36) PPARGPPARAPPARDCPB2KDM4E
SCHEMBL9753620 0.77 PTGS1 (0.37) PTGS1PTGS2EGLN1CPB2KDM4E
SCHEMBL8609437 0.74 PTGS1 (0.46) PTGS1PTGS2EGLN1KDM4EPOLB
SCHEMBL8609146 0.73 PPARG (0.43) PPARGPPARAPPARDCPB2FFAR1
SCHEMBL8607323 0.73 GAA (0.42) PTGS1PTGS2PPARGPPARAPPARD
SCHEMBL23534275 0.73 PTGS1 (0.48) PTGS1PTGS2EGLN1KDM4EPOLB

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