SCHEMBL3402632

SCHEMBL3402632

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HSP90AA1 P07900 2/20 0.45
ATM Q13315 2/20 0.45
TLR9 Q9NR96 2/20 0.45
MITF O75030 1/20 0.45
NR4A1 P22736 1/20 0.44
KCNMA1 Q12791 1/20 0.44
CNR2 P34972 2/20 0.43
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
AKR1C3 P42330 1/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 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
SCHEMBL3406738 0.93 KCNMA1 (0.46) HTTALDH1A1NPSR1HSP90AA1ATM
SCHEMBL3404051 0.85 EGFR (0.48) HTTKCNMA1LMNAMAPTHPGD
SCHEMBL3407763 0.84 ALDH1A1 (0.53) HTTALDH1A1LMNAMAPTHPGD
SCHEMBL3408328 0.84 POLB (0.50) ALDH1A1NPSR1HSP90AA1ATMTLR9
SCHEMBL14058380 0.83 ALDH1A1 (0.45) HTTALDH1A1NPSR1HSP90AA1ATM
SCHEMBL3409493 0.82 MAPT (0.48) HTTALDH1A1NPSR1KCNMA1TDP1
SCHEMBL3405997 0.82 SMN1; SMN2 (0.53) HTTALDH1A1TDP1LMNAMAPT
SCHEMBL14058541 0.82 ALDH1A1 (0.40) HTTALDH1A1NPSR1HSP90AA1ATM
SCHEMBL3409107 0.81 GAA (0.44) ALDH1A1HSP90AA1LMNAMAPTPOLB
SCHEMBL14058532 0.76 ALDH1A1 (0.46) HTTALDH1A1NPSR1HSP90AA1ATM

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