SCHEMBL6686983

SCHEMBL6686983

Cc1cc(C)n(-c2nnc3c4ccccc4n(Cc4ccccc4)c3n2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
NPC1 O15118 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
RAB9A P51151 1/20 0.68
TSHR P16473 5/20 0.57
NPSR1 Q6W5P4 5/20 0.57
ALDH1A1 P00352 5/20 0.49
POLB P06746 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
XBP1 P17861 1/20 0.48
CNR1 P21554 3/20 0.47
CNR2 P34972 2/20 0.47
HSD17B10 Q99714 1/20 0.46
BRAF P15056 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL6690839 0.87 MAPT (0.72) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6688798 0.83 MAPT (0.70) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6688827 0.83 TSHR (0.61) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6687343 0.81 MAPT (1.00) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6686975 0.80 ALDH1A1 (0.64) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6690858 0.78 ALDH1A1 (0.54) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL24856146 0.73 TSHR (0.66) MAPTTSHRNPSR1ALDH1A1POLB
SCHEMBL6689688 0.71 ALDH1A1 (0.76) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6686970 0.70 MAPT (0.74) MAPTNPC1L3MBTL1RAB9ATSHR
SCHEMBL6691444 0.70 TSHR (0.46) MAPTNPC1L3MBTL1RAB9ATSHR

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