SCHEMBL8346385

SCHEMBL8346385

NC(=O)c1cn2ccc(CP(=O)(O)O)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
EGLN1 Q9GZT9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8346739 0.87 PGK1 (0.44) PGK1PGK2CYP1A2CYP3A4MAPT
SCHEMBL8942327 0.82 KDM4E (0.38) CYP1A2CYP3A4MAPTKDM4EALDH1A1
SCHEMBL8351298 0.76 KDM4E (0.37) CYP1A2CYP3A4MAPTKDM4EALDH1A1
SCHEMBL8346151 0.75 CYP1A2 (0.32) CYP1A2CYP3A4MAPT
SCHEMBL8346826 0.72 ADORA2A (0.32) EGLN1KDM4EALDH1A1HPGD
SCHEMBL8347806 0.69 PGK1 (0.32) PGK1PGK2
SCHEMBL1901476 0.65 ALDH1A1 (0.60) CYP1A2MAPTKDM4EALDH1A1HPGD
SCHEMBL8344080 0.65 LMNA (0.35)
SCHEMBL8349215 0.64 SIRT6 (0.33)
SCHEMBL15453968 0.64 HTR4 (0.34) KDM4EALDH1A1HPGD

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 5 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-5958904-A Phosphonomethyl-imidazo 1,2-A! pyrimidine-2-carboxylic acid compounds for treatment of neurotoxic injury G.D. SEARLE & CO. (US) 1999-09-28 US disclosed
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