SCHEMBL6689412

SCHEMBL6689412

Cc1cc(C)n(-c2nnc3c(n2)[nH]c2ccccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 3/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
CREBBP Q92793 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
NTSR1 P30989 2/20 0.43

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
SCHEMBL6695848 0.84 POLB (0.46) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL6688792 0.76 MAPT (0.48) MAPTNPC1RAB9AL3MBTL1HPGD
SCHEMBL15076954 0.74 MAPT (0.41) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL6689426 0.73 MAPT (0.51) MAPTNPC1RAB9AL3MBTL1POLB
SCHEMBL14366844 0.73 ALDH1A1 (0.61) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL6687325 0.73 CNR2 (0.46) MAPTNPC1RAB9AL3MBTL1HPGD
SCHEMBL903237 0.73 MAPT (0.65) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL6687343 0.72 MAPT (1.00) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL6694633 0.72 LMNA (0.41) MAPTNPC1RAB9APOLBALOX15
SCHEMBL6694669 0.70 MAPK1 (0.43) MAPTNPC1RAB9AL3MBTL1POLB

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 1 patent. 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 disclosed