SCHEMBL28796458

SCHEMBL28796458

ClC(Cl)(Cl)c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SNCA P37840 3/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX12 P18054 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL1080885 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL9932693 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL2228440 0.81 NOX1 (0.52) NOX1MAPTGAAMEN1KMT2A
Methylene Chloride SCHEMBL4971874 0.81 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL560873 0.80 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL29384027 0.80 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
Iodide SCHEMBL9932580 0.80 NOX1 (0.50) NOX1MAPTGAAMEN1KMT2A
Water SCHEMBL3136465 0.79 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL28327041 0.79 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
SCHEMBL12003759 0.79 NOX1 (0.57) 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
CN-102387787-A External preparation BUBBLES AND BEYOND GMBH 2012-03-21 CN disclosed