SCHEMBL8889403

SCHEMBL8889403

CCOC(=O)c1cn2c(C=CP(=O)(OCC)OCC)cccc2n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
KDM4E B2RXH2 7/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8889397 1.00 GAA (0.60) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL9753613 0.83 GAA (0.58) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL9753611 0.83 GAA (0.58) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL8942461 0.82 KDM4E (0.46) GAAKDM4EPOLBCYP1A2RAB9A
SCHEMBL8942469 0.82 KDM4E (0.46) GAAKDM4EPOLBCYP1A2RAB9A
SCHEMBL8608783 0.81 GAA (0.71) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL8607723 0.78 GAA (0.67) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL8607711 0.76 GAA (0.64) GAAKDM4EPOLBCYP1A2MAPK1
SCHEMBL8886598 0.76 IDO1 (0.43) GAAKDM4ECYP1A2MAPK1RAB9A
SCHEMBL8886587 0.76 IDO1 (0.43) GAAKDM4ECYP1A2MAPK1RAB9A

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 6 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-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