SCHEMBL5032239

SCHEMBL5032239

COc1ccc(Nc2nc(CNC3CC[N+](C)(C)CC3)nc(NC3CCCCCC3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.47
BCL6 P41182 1/20 0.47
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GALR2 O43603 6/20 0.41
RAB9A P51151 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4833030 0.87 BCL6 (0.51) GALR1BCL6CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL4838602 0.86 GALR1 (0.40) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4832326 0.85 BCL6 (0.59) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4836523 0.85 BCL6 (0.59) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4835239 0.85 BCL6 (0.59) GALR1BCL6CTSLCTSSCTSK
SCHEMBL14421490 0.84 BCL6 (0.52) GALR1BCL6CTSLCTSSCTSK
SCHEMBL5553416 0.84 EGFR (0.44) GALR1BCL6CTSLCTSSCTSK
SCHEMBL5032241 0.83 BCL6 (0.46) GALR1BCL6CTSLCTSSCTSK
SCHEMBL14417600 0.81 BCL6 (0.55) GALR1BCL6CTSLCTSSCTSK
SCHEMBL14585681 0.81 BCL6 (0.55) GALR1BCL6CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US claimed
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-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed