SCHEMBL8607646

SCHEMBL8607646

CCOC(=O)c1cn2c(C)ccc(P(=O)(OCC)OCC)c2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRA2 P47869 5/20 0.40
GABRB2 P47870 5/20 0.40
ADORA2A P29274 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL7269769 0.80 GAA (0.62) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL118953 0.78 GAA (0.59) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL8607723 0.73 GAA (0.67) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL8606440 0.73 IDO1 (0.42) CYP1A2KDM4ERAB9ANPC1POLB
SCHEMBL8942235 0.72 KDM4E (0.51) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL8605884 0.70 KDM4E (0.57) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL101291 0.70 GAA (1.00) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL31211064 0.68 GAA (0.52) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL8604839 0.67 KDM4E (0.50) GAACYP1A2KDM4ERAB9ANPC1
SCHEMBL8607711 0.67 GAA (0.64) GAACYP1A2KDM4ERAB9ANPC1

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 7 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
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