SCHEMBL8942235

SCHEMBL8942235

CCOC(=O)c1cn2c(P(=O)(OCC)OCC)ccnc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.40
GABRA2 P47869 5/20 0.39
GABRB2 P47870 5/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8942184 0.87 KDM4E (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8942506 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8350776 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8607723 0.80 GAA (0.67) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL8942469 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8351962 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8942461 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8607646 0.72 GAA (0.53) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL8351202 0.71 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8942443 0.70 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGAAHSD17B10

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