SCHEMBL6687009

SCHEMBL6687009

Nc1cc(-c2ccccc2)nn1-c1nnc2c(n1)[nH]c1ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX12 P18054 1/20 0.38
RAB9A P51151 4/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 2/20 0.37
GALR3 O60755 1/20 0.37
NPY1R P25929 1/20 0.37
STAT3 P40763 1/20 0.37
NPY2R P49146 1/20 0.37
EGFR P00533 1/20 0.36
NPC1 O15118 3/20 0.36
STAT1 P42224 1/20 0.36

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
SCHEMBL6688811 0.88 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6689426 0.88 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6688567 0.80 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6687401 0.69 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6690846 0.68 RAB9A (0.60) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28519664 0.67 SMN1; SMN2 (0.67) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29506272 0.67 GAA (0.70) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28391228 0.66 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29506305 0.66 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15246754 0.62 RAB9A (0.61) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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