SCHEMBL8942407

SCHEMBL8942407

CCOC(=O)c1cn2ccc(CP(=O)(OCC)OCC)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.50
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
GABRA2 P47869 7/20 0.39
GABRB2 P47870 7/20 0.39
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8942327 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL8349330 0.82 KDM4E (0.52) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8606874 0.78 KDM4E (0.65) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8942229 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8604839 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8605353 0.76 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8942506 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8942203 0.70 DPP4 (0.43) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8607711 0.70 GAA (0.64) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8351298 0.70 KDM4E (0.37) KDM4EALDH1A1HPGDPOLBCYP1A2

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