SCHEMBL13615462

SCHEMBL13615462

C=CCOc1cccc2c1C(N)=NS2(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LIG1 P18858 1/20 0.37
SETDB1 Q15047 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL13614998 0.78 HSD17B10 (0.36) LMNAHSD17B10MAPTL3MBTL1ALDH1A1
SCHEMBL2573400 0.76 HSD17B10 (0.48) LMNACYP3A4ADRA2BMAPK1HSD17B10
SCHEMBL11090264 0.72 ALDH1A1 (0.49) LMNAADRA2CHSD17B10MAPTL3MBTL1
SCHEMBL26118236 0.69 TSHR (0.53) LMNACYP3A4CYP2A6TSHRADRA2A
Probenazol SCHEMBL23516 0.68 PKM (0.65) LMNAHPGDHSD17B10MAPTL3MBTL1
Probenazol SCHEMBL30425932 0.68 PKM (0.65) LMNAHPGDHSD17B10MAPTL3MBTL1
Probenazol SCHEMBL8409812 0.68 PKM (0.65) LMNAHPGDHSD17B10MAPTL3MBTL1
SCHEMBL11090288 0.67 BACE1 (0.36) LMNAALDH1A1
SCHEMBL2564355 0.67 RET (0.43) LMNATSHRALDH1A1
SCHEMBL5919579 0.66 KCNA3 (0.50) CYP3A4CYP2A6TSHRADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141065-A2 (1,2-BENZISOTHIAZOL-3-YL)(THIO)CARBAMATES AND (1,2-BENZISOTHIAZOL-3-YL)(THIO)OXAMATES AND THE OXIDATION FORMS THEREOF FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed
EP-2123159-A1 (1,2-Benzisothiazol-3-yl)(thio)carbamates and (1,2-Benzisothiazol-3-yl)(thio)oxamates and their oxidation forms as pesticides Bayer CropScience AG (DE) 2009-11-25 EP disclosed