SCHEMBL8942229

SCHEMBL8942229

CCOC(=O)c1cn2cc(CP(=O)(OCC)OCC)cnc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.42
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.37
GABRA2 P47869 4/20 0.36
GABRB2 P47870 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL8942458 0.87 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPT
SCHEMBL8351325 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8605353 0.81 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8942443 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL21688698 0.79 KDM4E (0.64) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8942407 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL22577081 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL21688697 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL21004926 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL31035692 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302586-A Antiischemic and -hypoxia agents, particularly after a stroke, cardiac arrest, hypoglycemia or perinatal asphxia G. D. SEARLE & CO. (US) 1994-04-12 US claimed
US-5482933-A ANOXIA, ISCHEMIA G. D. SEARLE & CO. (US) 1996-01-09 US disclosed
US-5480876-A FROM ANOXIA OR ISCHEMIA G. D. SEARLE & CO. (US) 1996-01-02 US disclosed
US-5302586-A Antiischemic and -hypoxia agents, particularly after a stroke, cardiac arrest, hypoglycemia or perinatal asphxia G. D. SEARLE & CO. (US) 1994-04-12 US disclosed