SCHEMBL6231117

SCHEMBL6231117

CCCCc1ccc(SC)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
SKP2 Q13309 1/20 0.40
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
AR P10275 2/20 0.35
CA2 P00918 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
SCHEMBL25929324 0.90 CNR1 (0.38) HPGDALDH1A1NPC1RAB9ANPSR1
SCHEMBL25929341 0.84 KCNJ1 (0.34) ALDH1A1HSD17B10TSHRKCNJ1KCNH2
SCHEMBL19254702 0.83 CYP2A6 (0.44) HPGDALDH1A1NPC1RAB9ANPSR1
SCHEMBL8848194 0.81 KCNJ1 (0.33) HPGDALDH1A1NPC1RAB9ANPSR1
SCHEMBL10334702 0.81 HSD17B10 (0.46) HPGDALDH1A1NPC1RAB9ANPSR1
SCHEMBL8779815 0.79 SKP2 (0.47) HPGDALDH1A1NPC1RAB9ANPSR1
SCHEMBL6231115 0.78 TSHR (0.44) HPGDALDH1A1NPC1RAB9ANPSR1
SCHEMBL7658751 0.78 KMT2A (0.36) HPGDALDH1A1KCNJ1KCNH2AR
SCHEMBL1606027 0.78 ALDH1A1 (0.39) HPGDALDH1A1KCNJ1KCNH2AR
SCHEMBL11127882 0.77 NPC1 (0.50) HPGDALDH1A1NPC1RAB9ANPSR1

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-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 EP claimed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed
WO-2015055293-A1 METHOD FOR THE PREPARATION OF 1,2-BENZISOTHIAZOLIN-3-ONES THOR GMBH (DE) 2015-04-23 WO disclosed
EP-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 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