SCHEMBL8942375

SCHEMBL8942375

CCOP(=O)(Cc1ccnc2nc(C(N)=O)cn12)OCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.30
GAA P10253 1/20 0.30
GCK P35557 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8942506 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8350717 0.83 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8347806 0.83 PGK1 (0.32)
SCHEMBL8942184 0.81 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8942378 0.81 DPP4 (0.34) KDM4EALDH1A1MAPTHTT
SCHEMBL8350366 0.78 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8942328 0.77 PTK2 (0.34)
SCHEMBL8942070 0.77 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8942071 0.77 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8346457 0.76 PNP (0.30)

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