SCHEMBL9185337

SCHEMBL9185337

O=CN1c2ccccc2Sc2ccc(S(=O)(=O)O)cc21.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALOX12 P18054 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
BCHE P06276 5/20 0.38
DRD2 P14416 3/20 0.38
HRH1 P35367 3/20 0.38
DRD3 P35462 3/20 0.38
ACHE P22303 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
TBXA2R P21731 2/20 0.38
SLC6A2 P23975 2/20 0.38

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
SCHEMBL9184458 0.99 MAPT (0.41) MAPTALOX12NPSR1HTTLMNA
SCHEMBL9186707 0.84 MAPT (0.39) MAPTALOX12NPSR1HTTLMNA
SCHEMBL9185325 0.84 MAPT (0.39) MAPTALOX12NPSR1HTTLMNA
SCHEMBL627990 0.78 MAOA (0.52) LMNABCHEACHENOX1
SCHEMBL17614079 0.75 NOX1 (0.67) MAPTALOX12NPSR1HTTLMNA
SCHEMBL13938144 0.75 BCHE (0.54) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL8768003 0.74 BCHE (0.68) MAPTALOX12NPSR1HTTBCHE
SCHEMBL7360175 0.73 TSHR (0.46) MAPTALOX12NPSR1HTTLMNA
SCHEMBL28053770 0.73 NOX1 (0.68) MAPTHTTLMNACYP1A2CYP2D6
SCHEMBL8768014 0.72 BCHE (0.69) MAPTALOX12NPSR1HTTBCHE

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