SCHEMBL27604609

SCHEMBL27604609

Nc1ccc(O)c(CN2CCN(Cc3ccccc3O)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.73
MPO P05164 2/20 0.71
BACE1 P56817 2/20 0.58
KDM4E B2RXH2 2/20 0.54
TSHR P16473 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
FAAH O00519 1/20 0.49
GFER P55789 1/20 0.46
BCHE P06276 1/20 0.46
GAA P10253 1/20 0.45
PRKCI P41743 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL29565193 0.92 ACHE (0.86) ACHEMPOBACE1KDM4ETSHR
SCHEMBL126246 0.92 ACHE (0.86) ACHEMPOBACE1KDM4ETSHR
Hydrochloric Acid SCHEMBL5694431 0.90 ACHE (0.87) ACHEMPOBACE1KDM4ETSHR
SCHEMBL28837434 0.85 ACHE (1.00) ACHEMPOBACE1KDM4ETSHR
SCHEMBL3967782 0.84 MPO (1.00) ACHEMPOBACE1KDM4ETSHR
SCHEMBL22791815 0.84 ACHE (0.73) ACHEMPOBACE1KDM4ETSHR
SCHEMBL4653564 0.84 ACHE (0.64) ACHEMPOBACE1KDM4ETSHR
SCHEMBL27604606 0.81 ACHE (0.69) ACHEMPOBACE1KDM4ETSHR
SCHEMBL6231104 0.81 ACHE (0.73) ACHEMPOBACE1KDM4ETSHR
SCHEMBL922653 0.81 ACHE (0.73) ACHEBACE1KDM4ETSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN claimed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 CN disclosed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN disclosed