SCHEMBL8352116

SCHEMBL8352116

CCOP(=O)(Cc1nc(N)ncc1Br)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
DHFR P00374 2/20 0.32
NUDT1 P36639 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL23534954 0.73 NUDT1 (0.41) HSP90AA1DHFRNUDT1MEN1LMNA
SCHEMBL29948217 0.73 NUDT1 (0.41) HSP90AA1DHFRNUDT1MEN1LMNA
SCHEMBL26083267 0.71 TSHR (0.32) CCNT1CDK9TSHRTLR8TLR7
SCHEMBL26083269 0.70 ALDH1A1 (0.36) CCNT1CDK9KDM4ETSHRMEN1
SCHEMBL31403483 0.70 TLR8 (0.38) CCNT1CDK9TSHRTLR8TLR7
SCHEMBL22834670 0.69 LMNA (0.40) HSP90AA1KDM4ENUDT1HSP90AB1MEN1
SCHEMBL29652037 0.69 LMNA (0.40) HSP90AA1KDM4ENUDT1HSP90AB1MEN1
SCHEMBL6664133 0.69 HTT (0.41) CCNT1CDK9KDM4ETSHRMEN1
SCHEMBL15260198 0.68 TSHR (0.39) KDM4ETSHRLMNAMAPTKMT2A
SCHEMBL22234608 0.67 NUDT1 (0.42) DHFRNUDT1MEN1LMNAMAPT

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-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
US-5252563-A 5,6,7,8-tetrahydro-imidazo[1,2-a]pyrimidine compounds for treatment of neurotoxic injury G. D. SEARLE & COMPANY (US) 1993-10-12 US disclosed