SCHEMBL6690846

SCHEMBL6690846

Cn1c2ccccc2c2nnc(-n3nc(-c4ccccc4)cc3N)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
MAPT P10636 6/20 0.60
NPC1 O15118 6/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
ALDH1A1 P00352 7/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.44
STAT1 P42224 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TSHR P16473 2/20 0.43
GFER P55789 1/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
PRNP P04156 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
SCHEMBL6687555 0.91 MAPT (0.55) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL6687401 0.91 MAPT (0.55) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL6686970 0.87 MAPT (0.74) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL5606372 0.78 MAPT (0.65) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL14366818 0.76 MAPT (0.71) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL6687343 0.75 MAPT (1.00) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL6689426 0.74 MAPT (0.51) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL14366837 0.71 MAPT (0.82) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL6692443 0.70 ALDH1A1 (0.92) RAB9AMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL6691634 0.70 MAPT (0.60) RAB9AMAPTNPC1L3MBTL1ALDH1A1

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