SCHEMBL4779900

SCHEMBL4779900

NC(=O)N1c2ccccc2Sc2cccc(O)c21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.70
ACHE P22303 4/20 0.70
NOX1 Q9Y5S8 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL5804919 0.98 BCHE (0.68) BCHEACHENOX1MEN1KMT2A
SCHEMBL5805862 0.84 NOX1 (0.56) BCHEACHENOX1MEN1KMT2A
SCHEMBL4776664 0.83 BCHE (1.00) BCHEACHENOX1LMNAMAPT
SCHEMBL28460389 0.80 BCHE (0.62) BCHEACHENOX1LMNAMAPK1
SCHEMBL4777072 0.79 NOX1 (0.49) BCHEACHENOX1MEN1KMT2A
SCHEMBL15775866 0.73 MEN1 (0.55) BCHEACHENOX1MEN1KMT2A
SCHEMBL30198410 0.72 NOX1 (1.00) BCHEACHENOX1MAPT
SCHEMBL341905 0.72 NOX1 (1.00) BCHEACHENOX1MAPT
SCHEMBL14746015 0.72 BCHE (0.66) BCHEACHEMAPTHPGDALDH1A1
SCHEMBL8428709 0.72 BCHE (0.55) BCHEACHENOX1MAPTGFER

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
WO-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 WO claimed
WO-2013033520-A1 A METHOD FOR REGULATING SKIN PIGMENTATION THE GENERAL HOSPITAL CORPORATION (US) 2013-03-07 WO disclosed
WO-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 WO disclosed