SCHEMBL8055449

SCHEMBL8055449

CC[S+]([O-])c1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
APEX1 P27695 1/20 0.53
METAP2 P50579 1/20 0.52
NSD2 O96028 2/20 0.49
CYP2C19 P33261 2/20 0.49
SGMS2 Q8NHU3 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8042303 0.85 KMT2A (0.59) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8055104 0.85 L3MBTL1 (0.46) KMT2AHPGDL3MBTL1ALDH1A1HTT
SCHEMBL8042309 0.79 HPGD (0.53) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26731270 0.79 KMT2A (0.51) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9171525 0.78 ALDH1A1 (0.46) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL11901003 0.78 KMT2A (0.89) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31680569 0.78 KMT2A (0.89) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7183285 0.75 KMT2A (0.71) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1032002 0.73 MAPK1 (0.77) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8055106 0.73 ALDH1A1 (0.42) KMT2ALMNAGAAHPGDL3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP claimed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US claimed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP disclosed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US disclosed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed