SCHEMBL9185974

SCHEMBL9185974

O=S(=O)(O)c1ccc2c(c1)Nc1ccccc1S2.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 13/20 0.54
GAA P10253 6/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SNCA P37840 3/20 0.54
ALOX15 P16050 3/20 0.54
CYBB P04839 2/20 0.54
NOX3 Q9HBY0 2/20 0.54
NOX4 Q9NPH5 2/20 0.54
APP P05067 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 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

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
SCHEMBL9186453 0.98 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL10889794 0.89 SNCA (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL11744639 0.83 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL9185969 0.83 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8941201 0.83 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
Phenothiazine SCHEMBL31210233 0.81 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
Phenothiazine SCHEMBL38662173 0.81 NOX1 (0.74) NOX1GAAMAPTMEN1KMT2A
SCHEMBL561135 0.79 NOX1 (0.51) NOX1GAAMAPTMEN1KMT2A
SCHEMBL7360175 0.78 TSHR (0.46) MAPTSNCATDP1BCHEPOLB
Phenothiazine SCHEMBL31210229 0.78 NOX1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451675-B1 Process for the direct and regioselective functionalization in position 2 of phenothiazine ZAMBON SPA (IT) 1995-11-02 EP disclosed
US-5089613-A Sulfonation of N-acylphenothiazine with sulfuric acid, oleum or chlorosulfonic acid then reduciton to mercaptan and S-alkylation ZAMBON GROUP S.P.A. (IT) 1992-02-18 US disclosed
EP-0451675-A1 Process for the direct and regioselective functionalization in position 2 of phenothiazine ZAMBON GROUP S.p.A. (IT) 1991-10-16 EP disclosed