SCHEMBL3406738

SCHEMBL3406738

O=C(c1ccccc1)c1ccc(Cl)cc1-n1cc(O)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ATM Q13315 1/20 0.45
TLR9 Q9NR96 1/20 0.45
CNR2 P34972 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CNR1 P21554 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3402632 0.93 HTT (0.45) KCNMA1HTTNPSR1MITFALDH1A1
SCHEMBL3407763 0.89 ALDH1A1 (0.53) HTTALDH1A1MEN1KMT2AGAA
SCHEMBL3404051 0.77 EGFR (0.48) KCNMA1HTTMEN1KMT2AGAA
SCHEMBL14058541 0.77 ALDH1A1 (0.40) KCNMA1HTTNPSR1MITFALDH1A1
SCHEMBL14058380 0.76 ALDH1A1 (0.45) HTTNPSR1MITFALDH1A1HSP90AA1
SCHEMBL3408328 0.76 POLB (0.50) NPSR1ALDH1A1HSP90AA1ATMTLR9
SCHEMBL3409493 0.75 MAPT (0.48) KCNMA1HTTNPSR1ALDH1A1MEN1
SCHEMBL3406858 0.75 MAPK8 (0.48)
SCHEMBL3405997 0.75 SMN1; SMN2 (0.53) HTTALDH1A1MEN1KMT2AGAA
SCHEMBL3409107 0.74 GAA (0.44) ALDH1A1HSP90AA1KMT2AGAALMNA

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-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed