SCHEMBL3469147

SCHEMBL3469147

Cc1c(O)ccc(-c2nc(-c3ccc(O)c(C)c3O)nc(-n3ncc4ccccc43)n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.39
MAPT P10636 4/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
ELANE P08246 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CHEK1 O14757 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL13283104 0.90 PDE10A (0.39) PDE10ACYP11B1CYP11B2SLC22A12ELANE
SCHEMBL30772115 0.76 ESR1 (0.44) MAPTUSP2TP53GAAALOX15
SCHEMBL30772116 0.76 ESR1 (0.44) MAPTUSP2TP53GAAALOX15
SCHEMBL3696821 0.76 ESR1 (0.44) MAPTUSP2TP53GAAALOX15
SCHEMBL13282976 0.75 PDE10A (0.34) PDE10ACYP11B1CYP11B2
SCHEMBL3469122 0.74 PDE10A (0.33) PDE10AMAPK1LMNAALDH1A1
SCHEMBL3360860 0.73 MAPT (0.39) MAPTUSP2TP53GAAALOX15
SCHEMBL3363742 0.72 ALDH1A1 (0.46) MAPTTSHRHSD17B10LMNAALDH1A1
SCHEMBL12714322 0.71 ESR1 (0.41) MAPTUSP2TP53GAAALOX15
SCHEMBL13271093 0.69 MAPT (0.36) MAPTUSP2TP53GAAALOX15

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-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed