SCHEMBL6016921

SCHEMBL6016921

COc1ccc(N(c2nc(N)nc(NC3CC4CCC3C4)n2)C2CCCCCC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSP90AA1 P07900 2/20 0.42
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
P2RX7 Q99572 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL6 P41182 1/20 0.33
MAPK1 P28482 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5556168 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TAS1R3TAS1R1L3MBTL1
SCHEMBL4874024 0.75 HRH4 (0.57) HRH4
SCHEMBL4836469 0.74 HRH4 (0.45) SMN1; SMN2MAPK1HRH4KMT2AMEN1
SCHEMBL5553578 0.74 RECQL (0.39) SMN1; SMN2ALDH1A1HSP90AA1TAS1R3TAS1R1
SCHEMBL6919803 0.73 EHMT2 (0.45) SMN1; SMN2BCL6MAPK1HRH4
SCHEMBL4838063 0.72 BCL6 (0.55) SMN1; SMN2ALDH1A1HSP90AA1PDGFRBPDGFRA
SCHEMBL5031294 0.72 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TAS1R3TAS1R1L3MBTL1
SCHEMBL6233997 0.72 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PDGFRBPDGFRABCL6
SCHEMBL6016881 0.71 MAPK1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1MAPK1HRH4
SCHEMBL4832802 0.71 TNK2 (0.36) SMN1; SMN2ALDH1A1HSP90AA1L3MBTL1BCL6

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-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed