SCHEMBL8055115

SCHEMBL8055115

O=C(NCc1ccccc1)c1ccccc1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.71
KMT2A Q03164 3/20 0.71
TSHR P16473 1/20 0.70
METAP2 P50579 1/20 0.68
NLRP3 Q96P20 1/20 0.65
GAA P10253 2/20 0.65
LMNA P02545 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
APEX1 P27695 1/20 0.64
CHRNB2 P17787 1/20 0.63
CHRNB4 P30926 1/20 0.63
CHRNA3 P32297 1/20 0.63
CHRNA4 P43681 1/20 0.63
POLB P06746 1/20 0.60
HTT P42858 1/20 0.60
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
NSD2 O96028 2/20 0.58
SGMS2 Q8NHU3 1/20 0.58
HDAC2 Q92769 1/20 0.57

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
SCHEMBL11901003 0.87 KMT2A (0.89) HPGDKMT2ATSHRMETAP2GAA
SCHEMBL31680569 0.87 KMT2A (0.89) HPGDKMT2ATSHRMETAP2GAA
SCHEMBL1974245 0.83 NLRP3 (0.80) HPGDTSHRNLRP3GAALMNA
SCHEMBL28710986 0.82 KMT2A (0.62) HPGDKMT2ATSHRNLRP3GAA
SCHEMBL8635709 0.81 KMT2A (1.00) HPGDKMT2AMETAP2GAALMNA
SCHEMBL1984940 0.81 KMT2A (1.00) HPGDKMT2AMETAP2GAALMNA
SCHEMBL29676833 0.81 HPGD (0.68) HPGDKMT2ATSHRGAALMNA
SCHEMBL22717260 0.81 HPGD (0.68) HPGDKMT2ATSHRGAALMNA
SCHEMBL10518947 0.81 METAP2 (1.00) HPGDKMT2AMETAP2GAALMNA
SCHEMBL1979028 0.80 KMT2A (0.71) HPGDKMT2ATSHRMETAP2GAA

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-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 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