SCHEMBL28616409

SCHEMBL28616409

N#Cc1ccc2c(c1-c1ccccc1)Nc1ccccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.44
GAA P10253 6/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
ALOX15 P16050 2/20 0.44
SNCA P37840 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL28206767 0.79 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31236949 0.79 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL2583563 0.79 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL2776932 0.78 NOX1 (0.48) NOX1GAAMAPTMEN1KMT2A
SCHEMBL29242183 0.74 NOX1 (0.49) NOX1GAAMAPTMEN1KMT2A
SCHEMBL29242179 0.74 NOX1 (0.49) NOX1GAAMAPTMEN1KMT2A
SCHEMBL28093022 0.72 NOX1 (0.48) NOX1GAAMAPTMEN1KMT2A
SCHEMBL28514723 0.70 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1901331 0.70 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
Phenothiazine SCHEMBL28713817 0.70 NOX1 (0.81) 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
CN-113278036-B Phenothiazine-containing iridium complex and preparation method and application thereof 赣南师范大学 2022-04-12 CN disclosed
CN-113278036-A Phenothiazine-containing iridium complex and preparation method and application thereof 赣南师范大学 2021-08-20 CN disclosed