SCHEMBL6687006

SCHEMBL6687006

CCCCn1c2ccccc2c2nnc(-n3nc(C)c(Cc4cccc(C(F)(F)F)c4)c3C)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
POLB P06746 3/20 0.61
MAPK1 P28482 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ALOX15 P16050 2/20 0.61
XBP1 P17861 1/20 0.61
MAPT P10636 8/20 0.57
HTT P42858 2/20 0.57
HIF1A Q16665 1/20 0.57
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 3/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTBP1 P26599 1/20 0.37

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
SCHEMBL6696528 0.93 ALDH1A1 (0.64) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6686826 0.89 MAPT (0.62) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6694842 0.88 LMNA (0.72) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6692674 0.85 LMNA (0.66) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6691639 0.83 ALDH1A1 (0.67) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6692102 0.82 ALDH1A1 (0.77) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6687548 0.81 ALDH1A1 (0.67) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6692622 0.81 ALDH1A1 (0.67) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6689207 0.81 ALDH1A1 (0.69) LMNAALDH1A1TSHRPOLBMAPK1
SCHEMBL6691113 0.80 ALDH1A1 (0.74) LMNAALDH1A1TSHRPOLBMAPK1

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