SCHEMBL9790945

SCHEMBL9790945

NCCCc1cc(N)cc2c1Nc1ccccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.46
MAPT P10636 7/20 0.46
GAA P10253 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SNCA P37840 3/20 0.46
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX12 P18054 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

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
SCHEMBL5807746 0.83 NOX1 (0.52) NOX1MAPTGAAMEN1KMT2A
SCHEMBL7951126 0.77 NOX1 (0.47) NOX1MAPTGAAMEN1KMT2A
SCHEMBL11427463 0.75 NOX1 (0.45) NOX1MAPTGAAMEN1KMT2A
SCHEMBL8733006 0.74 NOX1 (0.55) NOX1MAPTGAAMEN1KMT2A
SCHEMBL31614614 0.73 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL2312459 0.72 NOX1 (0.45) NOX1MAPTGAAMEN1KMT2A
SCHEMBL237910 0.71 NOX1 (0.65) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30769563 0.71 NOX1 (0.65) NOX1MAPTGAAMEN1KMT2A
SCHEMBL8318228 0.71 NOX1 (0.65) NOX1MAPTGAAMEN1KMT2A
SCHEMBL25337930 0.70 NOX1 (0.46) 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-5055213-A Addition copolymers containing maleic anhydride monomer modifi ed by a phenothiazine derivative, napthtylamine or diphenylami ne; antideposit agents; dispersants; oxidation resistance SOCIETE NATIONALE ELF AQUITAINE (FR) 1991-10-08 US claimed