SCHEMBL6687401

SCHEMBL6687401

Cn1c2ccccc2c2nnc(-n3nc(-c4ccc(Br)cc4)cc3N)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 9/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 5/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
STAT1 P42224 1/20 0.41
TSHR P16473 2/20 0.40
GFER P55789 1/20 0.40
GALR3 O60755 1/20 0.39
NPY1R P25929 1/20 0.39
STAT3 P40763 1/20 0.39
NPY2R P49146 1/20 0.39

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 0.91 RAB9A (0.60) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6687555 0.90 MAPT (0.55) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6686970 0.79 MAPT (0.74) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6688811 0.76 MAPT (0.47) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL14366818 0.73 MAPT (0.71) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6687343 0.72 MAPT (1.00) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL5606372 0.70 MAPT (0.65) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6687009 0.69 MAPT (0.41) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL14366837 0.68 MAPT (0.82) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6692443 0.68 ALDH1A1 (0.92) MAPTRAB9ANPC1L3MBTL1ALDH1A1

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