SCHEMBL13615128

SCHEMBL13615128

COC(=O)Nc1nsc2cccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.47
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 2/20 0.41
AGPAT2 O15120 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4380910 0.84 MAPK1 (0.43) KDM4EALDH1A1TP53MAPTMAPK1
SCHEMBL4387162 0.83 KDR (0.38) TYK2KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL11095814 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL10167644 0.77 KMT2A (0.48) KDM4EALDH1A1NPC1TP53PKM
SCHEMBL2570453 0.71 DYRK1A (0.52) KDM4EALDH1A1HPGDNPC1TP53
SCHEMBL10167657 0.71 LMNA (0.51) CYP2C9
SCHEMBL2093283 0.70 NLRP3 (0.60) TYK2KDM4EALDH1A1HPGDNPC1
SCHEMBL10167653 0.70 TRPV1 (0.42)
SCHEMBL10167631 0.70 KCNQ3 (0.50) KDM4EALDH1A1NPC1TP53SMN1; SMN2
SCHEMBL10167667 0.70 SMO (0.44)

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