SCHEMBL5030769

SCHEMBL5030769

COc1ccc(Nc2nc(NC3CCCCCC3)nc([N+](C)(C)C3CCN(C)CC3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
BLM P54132 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
EHMT2 Q96KQ7 2/20 0.42
EHMT1 Q9H9B1 1/20 0.42
ATM Q13315 1/20 0.42
CTSB P07858 1/20 0.42
POLB P06746 2/20 0.40
BCL6 P41182 2/20 0.40
IDH2 P48735 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5032290 0.84 MAPT (0.50) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4837520 0.75 EHMT2 (0.49) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4838322 0.75 BCL6 (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4838816 0.75 BCL6 (0.65) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL27628433 0.71 BCL6 (0.55) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL14294052 0.70 SMN1; SMN2 (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4832649 0.70 BCL6 (0.49) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4832415 0.70 BCL6 (0.56) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4837970 0.69 MEN1 (0.52) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4870953 0.69 BCL6 (0.55) MAPTMEN1KMT2AHTTSMN1; SMN2

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 1 patent. 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 claimed