SCHEMBL6686728

SCHEMBL6686728

Cc1nn(-c2nnc3c(n2)[nH]c2ccccc23)c(C)c1Cc1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 6/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6855861 0.86 NPC1 (0.53) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6687325 0.85 CNR2 (0.46) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6688792 0.84 MAPT (0.48) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6694669 0.83 MAPK1 (0.43) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6688574 0.82 SMN1; SMN2 (0.39) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL14366844 0.81 ALDH1A1 (0.61) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6694633 0.81 LMNA (0.41) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6691125 0.80 MEN1 (0.45) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6691891 0.78 MAPT (0.68) LMNAALDH1A1MAPTHTTHIF1A
SCHEMBL6746819 0.77 ALDH1A1 (0.71) LMNAALDH1A1MAPTHTTHIF1A

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