SCHEMBL8942443

SCHEMBL8942443

CCOC(=O)c1cn2c(CP(=O)(OCC)OCC)c(Cl)cnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
GAA P10253 1/20 0.40
NOTUM Q6P988 1/20 0.39
GABRA2 P47869 9/20 0.38
GABRB2 P47870 9/20 0.38
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SMO Q99835 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
SCHEMBL8942328 0.88 PTK2 (0.34) DPP4DPP8DPP9
SCHEMBL8351315 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDDPP4DPP8
SCHEMBL8607750 0.81 GAA (0.52) KDM4EDPP4DPP8DPP9GAA
SCHEMBL8942229 0.79 KDM4E (0.53) ALDH1A1KDM4EHPGDGAAGABRA2
SCHEMBL8942506 0.78 KDM4E (0.49) ALDH1A1KDM4EHPGDDPP4DPP8
SCHEMBL8942203 0.77 DPP4 (0.43) ALDH1A1KDM4EHPGDDPP4DPP8
SCHEMBL8350370 0.73 DPP4 (0.31) DPP4DPP8DPP9
SCHEMBL8608472 0.72 GAA (0.46) KDM4EDPP4DPP8DPP9GAA
SCHEMBL8349215 0.71 SIRT6 (0.33) LMNA
SCHEMBL8942235 0.70 KDM4E (0.51) ALDH1A1KDM4EHPGDDPP4DPP8

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