SCHEMBL6645858

SCHEMBL6645858

CCCCCNc1nc(Nc2ccc(OC)c(Cl)c2)nc(N(C)C2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 6/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GBA1 P04062 1/20 0.40
KCNH3 Q9ULD8 2/20 0.40
EPHB4 P54760 1/20 0.39
CAMK2D Q13557 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM1A O60341 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL4836660 0.92 BCL6 (0.53) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL4836313 0.85 MAPT (0.43) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL4838558 0.83 BCL6 (0.49) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL4829068 0.82 BCL6 (0.46) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL4838011 0.81 BCL6 (0.55) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL6862314 0.81 KDM1A (0.39) BCL6GBA1KDM1AEHMT2RCOR1
SCHEMBL4836212 0.81 BCL6 (0.50) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL14421530 0.80 BCL6 (0.40) BCL6GBA1KCNH3KDM1AEHMT2
SCHEMBL4838341 0.80 MAPT (0.43) BCL6MAPTMEN1LMNAKMT2A
SCHEMBL4832283 0.79 MAPT (0.55) BCL6MAPTMEN1LMNAKMT2A

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
EP-1436266-A4 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-12-22 EP disclosed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO disclosed
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP disclosed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 WO disclosed