SCHEMBL7754011

SCHEMBL7754011

CCCCc1ccc(SC)c(/C=N/O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SKP2 Q13309 1/20 0.37
HPGD P15428 5/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7754013 1.00 CYP2D6 (0.39) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL7758696 0.80 CDK1 (0.46) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL17548949 0.80 CDK1 (0.50) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8779815 0.76 SKP2 (0.47) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL2279414 0.75 CDK1 (0.55) CYP3A4ALDH1A1HSD17B10LMNAHIF1A
SCHEMBL2278630 0.75 CDK1 (0.55) CYP3A4ALDH1A1HSD17B10LMNAHIF1A
SCHEMBL6689622 0.75 CDK1 (0.55) CYP3A4ALDH1A1HSD17B10LMNAHIF1A
SCHEMBL6691210 0.75 CDK1 (0.55) CYP3A4ALDH1A1HSD17B10LMNAHIF1A
SCHEMBL6689618 0.75 CDK1 (0.55) CYP3A4ALDH1A1HSD17B10LMNAHIF1A
SCHEMBL3894996 0.75 CDK1 (0.55) CYP3A4ALDH1A1HSD17B10LMNAHIF1A

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