SCHEMBL6692443

SCHEMBL6692443

CCCc1c(C)nn(-c2nnc3c4ccccc4n(C)c3n2)c1C

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.92
MAPT P10636 6/20 0.92
LMNA P02545 5/20 0.92
HTT P42858 2/20 0.92
HIF1A Q16665 1/20 0.92
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
POLB P06746 3/20 0.72
TSHR P16473 3/20 0.72
ALOX15 P16050 2/20 0.72
MAPK1 P28482 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
XBP1 P17861 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
BRCA1 P38398 1/20 0.45
PRNP P04156 1/20 0.44

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
SCHEMBL14366836 0.96 ALDH1A1 (1.00) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL14366837 0.92 MAPT (0.82) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL6690424 0.91 ALDH1A1 (0.79) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL14366818 0.86 MAPT (0.71) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL6694656 0.85 MAPT (0.71) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL5606330 0.84 ALDH1A1 (1.00) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL6692642 0.83 MAPT (0.68) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL6691891 0.83 MAPT (0.68) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL6686783 0.83 MAPT (0.68) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL14366838 0.83 ALDH1A1 (0.83) ALDH1A1MAPTLMNAHTTHIF1A

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