SCHEMBL8605173

SCHEMBL8605173

O=C(O)Cc1cccc2ncc(C(=O)O)n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.36
TBXAS1 P24557 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TGFBR1 P36897 3/20 0.34
NAPRT Q6XQN6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
Methyl Alcohol SCHEMBL9753918 0.97 TBXAS1 (0.36) P4HTMTBXAS1KDM4EMAPTCYP1A2
SCHEMBL9753963 0.85 TGFBR1 (0.32) TBXAS1TGFBR1
SCHEMBL9753964 0.85 PTGS1 (0.34) TBXAS1KDM4EMAPTPTGS1PTGS2
SCHEMBL8606789 0.85 TBXAS1 (0.45) P4HTMTBXAS1KDM4EMAPTPTGS1
SCHEMBL8606787 0.81 GGPS1 (0.35) P4HTMTBXAS1KDM4EMAPTPTGS1
SCHEMBL8607304 0.81 PGK1 (0.37) TBXAS1TGFBR1KITDDR1DDR2
SCHEMBL9753517 0.80 HDAC4 (0.40) P4HTMKDM4EPTGS1PTGS2TGFBR1
SCHEMBL8607657 0.80 PTPRA (0.40) P4HTMTBXAS1TGFBR1
Methyl Alcohol SCHEMBL9753272 0.79 KDM4E (0.35) TBXAS1KDM4EPTGS1PTGS2ALDH1A1
SCHEMBL8608856 0.76 GGPS1 (0.32) TGFBR1

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