SCHEMBL28117917

SCHEMBL28117917

Clc1ccc2c(c1)Nc1ccc(Cl)cc1S2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.76
BCHE P06276 3/20 0.76
ACHE P22303 3/20 0.76
GAA P10253 5/20 0.48
MAPT P10636 5/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SNCA P37840 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAOA P21397 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
SCHEMBL7673182 0.92 NOX1 (0.62) NOX1BCHEACHEGAAMAPT
SCHEMBL30697368 0.92 NOX1 (0.62) NOX1BCHEACHEGAAMAPT
SCHEMBL1855994 0.91 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
Hydrochloric Acid SCHEMBL20495637 0.90 NOX1 (0.60) NOX1BCHEACHEGAAMAPT
Hydrochloric Acid SCHEMBL30448208 0.90 NOX1 (0.60) NOX1BCHEACHEGAAMAPT
SCHEMBL11539366 0.88 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL28635096 0.88 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL29276729 0.88 NOX1 (0.65) NOX1BCHEACHEGAAMAPT
SCHEMBL239261 0.86 NOX1 (0.79) NOX1BCHEACHEGAAMAPT
SCHEMBL4708136 0.86 NOX1 (0.58) NOX1BCHEACHEGAAMAPT

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-104311508-B Synthetic method of iron-catalyzed phenothiazine compound 苏州大学 2017-01-11 CN disclosed