SCHEMBL14636232

SCHEMBL14636232

CCc1cccc(Nc2nc(Nc3ccc(OC)c(Cl)c3)nc(OCC3CCCCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
CCNA2 P20248 10/20 0.54
CDK2 P24941 10/20 0.54
CCNA1 P78396 10/20 0.54
CCNB2 O95067 6/20 0.54
CDK1 P06493 6/20 0.54
CCNB1 P14635 6/20 0.54
CCNB3 Q8WWL7 6/20 0.54
GAA P10253 1/20 0.50
EPHB4 P54760 3/20 0.45
RECQL P46063 1/20 0.45
EPHA2 P29317 2/20 0.45
KDR P35968 2/20 0.45
BCL6 P41182 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CDK5 Q00535 1/20 0.40

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
SCHEMBL4832619 0.91 MAPT (0.64) MAPTMEN1LMNAKMT2ACCNA2
SCHEMBL14274180 0.88 MAPT (0.59) MAPTMEN1LMNAKMT2ACCNA2
SCHEMBL4836233 0.86 MAPT (0.60) MAPTMEN1LMNAKMT2ACCNA2
SCHEMBL14302722 0.79 MAPT (0.48) MAPTMEN1LMNAKMT2ACCNA2
SCHEMBL4829427 0.78 GALR1 (0.59) MAPTMEN1LMNAKMT2ACCNA2
SCHEMBL4838460 0.77 MAPT (0.72) MAPTMEN1LMNAKMT2AGAA
SCHEMBL4873970 0.76 MAPT (0.58) MAPTMEN1LMNAKMT2AGAA
SCHEMBL4837799 0.76 GALR1 (0.55) MAPTMEN1LMNAKMT2ACCNA2
SCHEMBL4829486 0.76 MAPT (0.48) MAPTMEN1LMNAKMT2AGAA
Cyclohexane SCHEMBL4873977 0.74 MAPT (0.82) MAPTMEN1LMNAKMT2AGAA

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-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 US disclosed