SCHEMBL8607281

SCHEMBL8607281

O=C(O)c1cn2cccc(CP(=O)(O)O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
ACP3 P15309 1/20 0.40
DHODH Q02127 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DHFR P00374 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
SCHEMBL2505187 0.84 PTGS1 (0.51) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL11071233 0.79 ACP3 (0.41) ACP3MAPTPGK1PGK2NPC1
SCHEMBL118694 0.79 PTGS1 (0.47) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL3305733 0.75 PTGS1 (0.56) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL30556624 0.74 PTGS1 (0.54) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL31211453 0.74 PTGS1 (0.54) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL8373781 0.74 PTGS1 (0.54) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL1758978 0.74 RXFP1 (0.56) PTGS1PTGS2MAPTRXFP1NPC1
SCHEMBL19660422 0.74 PTGS1 (0.54) PTGS1PTGS2DHODHCYP1A2CYP3A4
SCHEMBL2832275 0.74 PTGS1 (0.50) PTGS1PTGS2DHODHCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633237-A Imidazo[1,2-a]pyridinylalkyl phosphonic acid compounds for treatment of neurotoxic injury G.D. SEARLE & CO. (US) 1997-05-27 US claimed
US-5360796-A Treatment of hypoxia, anoxia or ischemia G. D. SEARLE & CO. (US) 1994-11-01 US claimed
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
US-5633237-A Imidazo[1,2-a]pyridinylalkyl phosphonic acid compounds for treatment of neurotoxic injury G.D. SEARLE & CO. (US) 1997-05-27 US disclosed
US-5360796-A Treatment of hypoxia, anoxia or ischemia G. D. SEARLE & CO. (US) 1994-11-01 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