SCHEMBL8607657

SCHEMBL8607657

O=C(O)c1cnc2cccc(CC(O)C(=O)O)n12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.40
KDM6B O15054 1/20 0.32
MME P08473 5/20 0.32
TGFBR1 P36897 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TBXAS1 P24557 1/20 0.30
P4HTM Q9NXG6 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
SCHEMBL8609061 0.83 PTPRA (0.38) PTPRAKDM6BMME
SCHEMBL8608522 0.82 PPARG (0.38) TGFBR1TBXAS1
SCHEMBL8607229 0.80 LMNA (0.35) TGFBR1
SCHEMBL8605173 0.80 P4HTM (0.36) TGFBR1TBXAS1P4HTM
SCHEMBL9753609 0.78
SCHEMBL8606789 0.77 TBXAS1 (0.45) TGFBR1TBXAS1P4HTM
Methyl Alcohol SCHEMBL9753918 0.77 TBXAS1 (0.36) TGFBR1TBXAS1P4HTM
SCHEMBL8607304 0.76 PGK1 (0.37) TGFBR1SMN1; SMN2TBXAS1
SCHEMBL8605178 0.76 PTPRA (0.35) PTPRAKDM6BMME
SCHEMBL9753517 0.75 HDAC4 (0.40) TGFBR1P4HTM

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