SCHEMBL6687325

SCHEMBL6687325

Cc1nn(-c2nnc3c(n2)[nH]c2ccccc23)c(C)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
LMNA P02545 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
HIF1A Q16665 1/20 0.44
MAPK1 P28482 3/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
POLB P06746 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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 0.92 NPC1 (0.53) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6694669 0.89 MAPK1 (0.43) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6694633 0.89 LMNA (0.41) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6688792 0.88 MAPT (0.48) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6691125 0.87 MEN1 (0.45) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6688574 0.86 SMN1; SMN2 (0.39) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6686728 0.85 LMNA (0.41) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL14366844 0.85 ALDH1A1 (0.61) CNR2LMNAMAPTALDH1A1HTT
SCHEMBL6689688 0.74 ALDH1A1 (0.76) LMNAMAPTALDH1A1HTTHIF1A
SCHEMBL15076954 0.74 MAPT (0.41) CNR2LMNAMAPTALDH1A1HTT

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