SCHEMBL14294405

SCHEMBL14294405

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ S1PR1 P21453 1/20 0.45
▸ CTSS P25774 4/20 0.43
▸ CTSK P43235 4/20 0.43
▸ CTSL P07711 3/20 0.43
▸ CTSV O60911 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ CTSH P09668 1/20 0.43
▸ CASP14 P31944 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CTSZ Q9UBR2 1/20 0.43
▸ 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
▸ NR1H4 Q96RI1 2/20 0.41
▸ BCL6 P41182 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
SCHEMBL14294112 0.88 RAB9A (0.45) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL4838310 0.86 BCL6 (0.57) RAB9ACTSSCTSKCTSLMEN1
SCHEMBL14302184 0.85 RAB9A (0.59) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL4832885 0.84 RAB9A (0.65) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL14294028 0.84 RAB9A (0.52) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL4838910 0.82 RAB9A (0.53) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL14302330 0.82 MAPT (0.59) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL4836723 0.81 RAB9A (0.52) RAB9AS1PR1CTSSCTSKCTSL
Hydrochloric Acid SCHEMBL5030799 0.81 RAB9A (0.51) RAB9AS1PR1CTSSCTSKCTSL
SCHEMBL14293963 0.80 RAB9A (0.51) RAB9AS1PR1CTSSCTSKCTSL

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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