SCHEMBL8217161

SCHEMBL8217161

O=c1nc(NCCCNCc2cc3c(Cl)cc(Cl)cc3n2CCO)[nH]c2ccsc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.69
KCNH2 Q12809 1/20 0.32
MAT2A P31153 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL8217159 0.83 SLC2A1 (0.48) SLC2A1KCNH2MAT2A
SCHEMBL8215088 0.82 SLC2A1 (1.00) SLC2A1KCNH2
SCHEMBL178862 0.77 SLC2A1 (0.52) SLC2A1KCNH2
SCHEMBL10069524 0.73 SLC2A1 (0.48) SLC2A1KCNH2
SCHEMBL8217165 0.73 SLC2A1 (0.48) SLC2A1KCNH2
SCHEMBL178856 0.70 SLC2A1 (0.43) SLC2A1
SCHEMBL10069521 0.65 SLC2A1 (0.43) SLC2A1
SCHEMBL8215084 0.65 SLC2A1 (0.69) SLC2A1KCNH2
SCHEMBL7209594 0.64 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL178859 0.62 MARS1 (0.51) SLC2A1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed
US-6013619-A APPLYING GAS POSITIVE END-EXPIRATORY PRESSURE WITH VENTILATOR INTO LUNG SECTION OF MAMMAL, INSTILLING LAVAGE COMPOSITION CONTAINING DILUTE SURFACTANT IN A PHARMACEUTICALLY ACCEPTABLE AQUEOUS MEDIUM INTO LUNG, REMOVING PULMONARY FLUID THE SCRIPPS RESEARCH INSTITUTE (US) 2000-01-11 US disclosed