SCHEMBL14294112

SCHEMBL14294112

CS(=O)(=O)C1CCC(Nc2nc(Nc3ccc(O)c(F)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RPS6KA6 Q9UK32 1/20 0.41
▸ CTSS P25774 4/20 0.41
▸ CTSK P43235 4/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSV O60911 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ CASP14 P31944 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CASP6 P55212 1/20 0.41

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
SCHEMBL14294405 0.88 RAB9A (0.50) RAB9AS1PR1MEN1MAPTHTT
SCHEMBL4832209 0.86 BCL6 (0.50) RAB9AMEN1MAPTHTTKMT2A
SCHEMBL14293956 0.85 RAB9A (0.53) RAB9AS1PR1MEN1MAPTHTT
SCHEMBL14294421 0.84 RAB9A (0.46) RAB9AS1PR1RPS6KA6CTSSCTSK
SCHEMBL14294391 0.82 RAB9A (0.62) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL4837042 0.82 IDH2 (0.55) RAB9AS1PR1MEN1MAPTHTT
SCHEMBL14294400 0.81 ROCK1 (0.52) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL4829395 0.81 CTSS (0.53) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL14293828 0.81 RAB9A (0.44) RAB9AS1PR1RPS6KA6CTSSCTSK
SCHEMBL4829661 0.81 RAB9A (0.46) RAB9AS1PR1MEN1MAPTHTT

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
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 — — US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
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