SCHEMBL8042332

SCHEMBL8042332

C=CC[S+]([O-])c1ccc(C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CA2 P00918 3/20 0.39
TSHR P16473 2/20 0.38
PARP10 Q53GL7 9/20 0.37
PARP4 Q9UKK3 2/20 0.37
PARP15 Q460N3 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP16 Q8N5Y8 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL3815025 0.78 CA2 (0.44) CA2TSHRPARP10PARP4PARP15
SCHEMBL8055087 0.77 PARP10 (0.47) CA2TSHRPARP10PARP4PARP15
SCHEMBL8042343 0.73 KDM4E (0.44) KDM4ETSHRALDH1A1KMT2APARP1
SCHEMBL6912656 0.72 C5AR1 (0.33) TDP1
SCHEMBL27800538 0.72 KDM4E (0.47) KDM4ECA2TSHRPARP10PARP4
SCHEMBL88855 0.71 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4CYP2C19TDP1
Terephthalamide SCHEMBL15173450 0.70 PARP1 (0.55) KDM4ECA2TSHRPARP10PARP4
SCHEMBL3974617 0.70 PARP10 (0.47) CA2TSHRPARP10PARP4PARP15
SCHEMBL9958346 0.69 TP53 (0.42) KDM4ECA2HSD17B10CA1CA12
SCHEMBL10688042 0.68

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 6 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 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