SCHEMBL9560163

SCHEMBL9560163

c1ccc2c(c1)Nc1ccc(N3CCOCC3)cc1S2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 5/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SNCA P37840 2/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
CYP1A2 P05177 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL12449201 0.87 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL30354369 0.80 KCNH2 (0.65) NOX1GAAMAPTMEN1KMT2A
SCHEMBL22960614 0.80 KCNH2 (0.65) NOX1GAAMAPTMEN1KMT2A
SCHEMBL16004704 0.79 LGMN (0.40) MAPTMEN1KMT2ACYP1A2ALOX15
SCHEMBL13386284 0.79 MAPT (0.47) GAAMAPTMEN1KMT2ATDP1
SCHEMBL11886393 0.78 MAPT (0.44) NOX1GAAMAPTMEN1KMT2A
SCHEMBL15909170 0.78 SNCA (0.42) NOX1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL13386331 0.78 LGMN (0.40) MAPTMEN1KMT2ACYP1A2ALOX15
SCHEMBL22960681 0.77 KCNH2 (0.56) NOX1GAAMAPTMEN1KMT2A
SCHEMBL5724663 0.77 ALDH1A1 (0.47) NOX1GAAMAPTMEN1KMT2A

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-0552223-A1 USE OF BENZENE DERIVATIVES AS CHARGE TRANSFER MEDIATORS. NOVO NORDISK AS (DK) 1993-07-28 EP disclosed
WO-1992007263-A1 USE OF BENZENE DERIVATIVES AS CHARGE TRANSFER MEDIATORS NOVO NORDISK A/S (DK) 1992-04-30 WO disclosed