SCHEMBL8942458

SCHEMBL8942458

CCOP(=O)(Cc1cnc2nc(C(N)=O)cn2c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
BTK Q06187 2/20 0.33
PTK2 Q05397 3/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30
GCK P35557 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
SCHEMBL8942229 0.87 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPT
SCHEMBL8351344 0.83 KDM4E (0.36) ALDH1A1KDM4EHPGDHTT
SCHEMBL8346826 0.82 ADORA2A (0.32) ALDH1A1KDM4EHPGD
SCHEMBL8942328 0.78 PTK2 (0.34) BTKPTK2
SCHEMBL8942327 0.76 KDM4E (0.38) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL8942375 0.73 KDM4E (0.34) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL9602080 0.72 CYP4F2 (0.42) MAPTHTT
SCHEMBL8351325 0.70 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL8346854 0.70 PTGS1 (0.35) ALDH1A1KDM4EHPGDMAPT
SCHEMBL8942378 0.70 DPP4 (0.34) ALDH1A1KDM4EMAPTHTT

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