SCHEMBL3363585

SCHEMBL3363585

CCCCC(CC)Cn1cc(-c2nc(-c3ccc(O)c(C)c3O)nc(-c3ccc(O)c(C)c3O)n2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 4/20 0.33
HSD17B10 Q99714 4/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPP2 Q13822 1/20 0.33
ASH1L Q9NR48 1/20 0.32
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13282870 0.93 CA12 (0.34) CA12CA1CA2CA9MAPT
SCHEMBL3360208 0.88 ICMT (0.35) MAPTTP53HSD17B10GAATSHR
SCHEMBL3361773 0.88 CA2 (0.33) CA12CA1CA2CA9MAPT
SCHEMBL3469064 0.86 DYRK1A (0.37) HSD17B10GAATSHRMEN1KMT2A
SCHEMBL3360185 0.86 PRSS1 (0.33) CA12CA1CA2CA9MAPT
SCHEMBL3362115 0.85 PDE4B (0.36) HSD17B10TSHRCNR2KDM4EALDH1A1
SCHEMBL3360359 0.83 KDM4E (0.34) MAPTTP53HSD17B10GAATSHR
SCHEMBL3360889 0.82 MGLL (0.33) HSD17B10MAPK1TDP1SMN1; SMN2CNR2
SCHEMBL3469030 0.81 TYR (0.32) MAPTTP53HSD17B10GAATSHR
SCHEMBL3360975 0.80 KDM4E (0.46) CA12CA1CA2CA9MAPT

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
EP-2210887-A1 Bis resorcinyl triazine derivatives as protecting agents against UV radiation ISDIN, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed