SCHEMBL11852004

SCHEMBL11852004

ClC1=NSc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 8/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX12 P18054 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAOA P21397 1/20 0.46
CNR1 P21554 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL5824133 0.78 NOX1 (0.50) NOX1MAPTGAAMEN1KMT2A
SCHEMBL8582844 0.76 NOX1 (0.41) NOX1MAPTMEN1KMT2ABCHE
SCHEMBL8579912 0.76 NOX1 (0.49) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10897032 0.75 MAPT (0.46) NOX1MAPTGAAMEN1KMT2A
SCHEMBL22016048 0.75 MAPT (0.46) NOX1MAPTGAAMEN1KMT2A
SCHEMBL29604424 0.75 MAPT (0.46) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10762039 0.75 MAPT (0.42) NOX1MAPTGAAMEN1KMT2A
SCHEMBL22630136 0.71 POLB (0.37) GAAKMT2ABCHETDP1POLB
SCHEMBL23510012 0.71 GAA (0.42) NOX1MAPTGAAMEN1KMT2A
SCHEMBL8491721 0.71 NOX1 (0.44) NOX1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3957769-A DIURETICS, CENTRAL NERVOUS SYSTEM DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 US disclosed