SCHEMBL8626581

SCHEMBL8626581

CSc1ccccc1C(=O)NC(C)C

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
PKM P14618 1/20 0.80
HPGD P15428 4/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL1387921 0.87 ALDH1A1 (0.63) ALDH1A1PKMHPGDGAAMAPT
SCHEMBL2759966 0.83 KMT2A (0.67) ALDH1A1PKMHPGDGAAMAPT
SCHEMBL11756077 0.81 ALDH1A1 (0.57) ALDH1A1PKMHPGDMAPTTDP1
SCHEMBL2759967 0.81 ALDH1A1 (0.57) ALDH1A1PKMHPGDGAAMAPT
SCHEMBL8622722 0.80 ALDH1A1 (0.55) ALDH1A1PKMHPGDGAAMAPT
SCHEMBL163587 0.79 ALDH1A1 (0.54) ALDH1A1PKMHPGDL3MBTL1KMT2A
SCHEMBL1559659 0.79 KMT2A (0.65) ALDH1A1HPGDGAAMAPTTSHR
SCHEMBL14980131 0.79 KMT2A (0.60) ALDH1A1PKMHPGDGAAMAPT
SCHEMBL5329475 0.79 TSHR (0.60) ALDH1A1PKMHPGDGAAMAPT
SCHEMBL6939026 0.78 KMT2A (0.63) ALDH1A1HPGDGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP claimed
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 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
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-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP 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