SCHEMBL7756750

SCHEMBL7756750

CC(C)(C)Sc1ccccc1/C=N/O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.46
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 4/20 0.41
TSHR P16473 2/20 0.41
FGF23 Q9GZV9 1/20 0.41
HPGD P15428 6/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL7756754 1.00 ALOX12 (0.46) ALOX12ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5241647 0.79 ALDH1A1 (0.47) ALOX12ALDH1A1L3MBTL1HTTTSHR
SCHEMBL3260265 0.79 ALDH1A1 (0.47) ALOX12ALDH1A1L3MBTL1HTTTSHR
SCHEMBL9953080 0.77 CA12 (0.33) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL18533885 0.77 CA12 (0.50) ALOX12ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10075903 0.77 CA12 (0.33) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL9952110 0.77 CA12 (0.50) ALOX12ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9953085 0.77 CA12 (0.33) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL9952106 0.77 CA12 (0.50) ALOX12ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6934720 0.77 AOC3 (0.37) ALDH1A1L3MBTL1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 EP disclosed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP disclosed
US-5856504-A TREATING A 2-(ALKYLTHIO)BENZALDEHYDE OXIME WITH A HALOGEN COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1999-01-05 US disclosed
US-5773626-A HALOGENATION OF A 2-(ALKYLTHIO)BENZALDEHYDE OXIME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-06-30 US disclosed
EP-0805151-A1 PROCESSES FOR PRODUCING ISOTHIAZOLE DERIVATIVES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-11-05 EP disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP disclosed