SCHEMBL14918906

SCHEMBL14918906

N#CCCCCCc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.54
TERT O14746 1/20 0.46
ALOX15 P16050 1/20 0.38
HIF1A Q16665 3/20 0.37
EPAS1 Q99814 3/20 0.37
TAAR1 Q96RJ0 6/20 0.37
NAMPT P43490 1/20 0.35
FDPS P14324 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL14918849 0.98 TBXAS1 (0.51) TBXAS1TERTALOX15HIF1AEPAS1
SCHEMBL28056965 0.93 TBXAS1 (0.49) TBXAS1TERTALOX15TAAR1NAMPT
Hydrochloric Acid SCHEMBL28986374 0.91 TBXAS1 (0.50) TBXAS1TERTALOX15TAAR1NAMPT
SCHEMBL1003186 0.85
SCHEMBL28062565 0.84 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL503743 0.84 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
Hydrochloric Acid SCHEMBL30509739 0.83 TERT (0.46) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3431746 0.82 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9834132 0.82 TBXAS1 (0.58) TBXAS1TERTALOX15TAAR1NAMPT
SCHEMBL9777191 0.78 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS

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-2013066832-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066832-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed