SCHEMBL6691891

SCHEMBL6691891

Cc1nn(-c2nnc3c4ccccc4n(C)c3n2)c(C)c1Cc1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 3/20 0.68
HTT P42858 1/20 0.68
HIF1A Q16665 1/20 0.68
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PRNP P04156 1/20 0.40
USP2 O75604 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
SCHEMBL6694656 0.90 MAPT (0.71) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6746819 0.88 ALDH1A1 (0.71) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6692642 0.88 MAPT (0.68) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6688796 0.86 MAPT (0.66) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6686783 0.86 MAPT (0.68) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL14366837 0.84 MAPT (0.82) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6694846 0.84 MAPT (0.63) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6689242 0.83 MAPT (0.65) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6692443 0.83 ALDH1A1 (0.92) MAPTALDH1A1LMNAHTTHIF1A
SCHEMBL6689664 0.82 LMNA (0.61) MAPTALDH1A1LMNAHTTHIF1A

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
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO claimed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed