SCHEMBL6694633

SCHEMBL6694633

Cc1nn(-c2nnc3c(n2)[nH]c2ccccc23)c(C)c1Cc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALKBH3 Q96Q83 1/20 0.39
CNR2 P34972 2/20 0.38
PDE10A Q9Y233 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR6 P50406 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
SCHEMBL6687325 0.89 CNR2 (0.46) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6855861 0.87 NPC1 (0.53) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6694669 0.87 MAPK1 (0.43) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6691125 0.87 MEN1 (0.45) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6688792 0.83 MAPT (0.48) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6686728 0.81 LMNA (0.41) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL15076954 0.81 MAPT (0.41) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL14366844 0.81 ALDH1A1 (0.61) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6691659 0.78 MAPT (0.67) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL6688574 0.78 SMN1; SMN2 (0.39) LMNAMAPTALDH1A1HTTHIF1A

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