SCHEMBL7758696

SCHEMBL7758696

CCCCc1ccc(SC)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.46
SKP2 Q13309 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR2A P28223 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL9791110 0.94 CDK1 (0.51) CDK1ALDH1A1HSD17B10THRATHRB
SCHEMBL9791173 0.84 CDK1 (0.44) CDK1SMN1; SMN2HTR2AMAPK1
SCHEMBL1071710 0.83 CDK1 (0.43) CDK1HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7754011 0.80 CYP2D6 (0.39) SKP2CA2CA1HPGDALDH1A1
SCHEMBL7754013 0.80 CYP2D6 (0.39) SKP2CA2CA1HPGDALDH1A1
SCHEMBL8779815 0.79 SKP2 (0.47) SKP2CA2CA1HPGDALDH1A1
SCHEMBL181044 0.79 CDK1 (0.42) CDK1ALDH1A1HSD17B10THRBHTR2A
SCHEMBL28738044 0.78 SKP2 (0.51) CDK1SKP2CA2CA1HPGD
SCHEMBL305915 0.77 CDK1 (0.77) CDK1CA2CA1HPGDALDH1A1
SCHEMBL19346256 0.77 CDK1 (0.49) CDK1SKP2CA2CA1HPGD

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