SCHEMBL7757773

SCHEMBL7757773

CSc1c(C)cccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ERN1 O75460 3/20 0.38
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2A6 P11509 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL28764582 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL3796110 0.78 ALDH1A1 (0.45) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL29951357 0.78 ERN1 (0.55) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL29984131 0.77 ALDH1A1 (0.48) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL28669144 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL4460481 0.77 CYP2A6 (0.45) ALDH1A1TSHRTDP1KMT2ACA1
SCHEMBL7756782 0.75 HPGD (0.46) ALDH1A1TSHRLMNAKDM4ENPSR1
SCHEMBL7756776 0.75 HPGD (0.46) ALDH1A1TSHRLMNAKDM4ENPSR1
SCHEMBL4447447 0.73 TSHR (0.44) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL9760066 0.73 PIM1 (0.39) ALDH1A1TSHRTDP1KMT2AMEN1

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 claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed
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-5773626-A HALOGENATION OF A 2-(ALKYLTHIO)BENZALDEHYDE OXIME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-06-30 US 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