SCHEMBL6686970

SCHEMBL6686970

Cc1cc(-c2ccccc2)nn1-c1nnc2c3ccccc3n(C)c2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 1/20 0.74
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 3/20 0.42
PRNP P04156 1/20 0.42
BRCA1 P38398 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL6690846 0.87 RAB9A (0.60) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6687343 0.85 MAPT (1.00) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6687555 0.79 MAPT (0.55) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6687401 0.79 MAPT (0.55) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL5606372 0.79 MAPT (0.65) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL14366818 0.77 MAPT (0.71) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL14366837 0.72 MAPT (0.82) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6692443 0.71 ALDH1A1 (0.92) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6691634 0.71 MAPT (0.60) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6690839 0.71 MAPT (0.72) MAPTL3MBTL1NPC1RAB9AALDH1A1

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