SCHEMBL11260372

SCHEMBL11260372

CCC12SCCN1C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ELANE P08246 1/20 0.37
ITGAL P20701 4/20 0.36
ITGB2 P05107 3/20 0.36
ICAM1 P05362 3/20 0.36
BCL2A1 Q16548 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EBP Q15125 1/20 0.31
PGR P06401 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11264341 0.90 TSHR (0.39) TSHRELANEITGALITGB2ICAM1
SCHEMBL11259364 0.79 TSHR (0.47) TSHRELANEITGALITGB2ICAM1
SCHEMBL11722683 0.64 ITGAL (0.49) TSHRELANEITGALITGB2ICAM1
SCHEMBL11257965 0.64 TSHR (0.46) TSHRELANEITGALITGB2ICAM1
SCHEMBL4839880 0.63 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL11721669 0.60 ITGAL (0.45) TSHRELANEITGALITGB2ICAM1
SCHEMBL10691960 0.60 ELANE (0.42) ELANEALDH1A1PGRKMT2A
SCHEMBL11719337 0.60 ITGAL (0.62) TSHRELANEITGALITGB2ICAM1
Procymidone SCHEMBL23093 0.59 TSHR (1.00) TSHRELANEITGALITGB2ICAM1
SCHEMBL7665397 0.59 ITGAL (0.41) TSHRITGALITGB2ICAM1ALDH1A1

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
EP-0006633-B1 6-(3,5-DICHLOROPHENYL)PERHYDROIMIDAZO(5,1-B)THIAZOLE DERIVATIVES, ANTIFUNGAL COMPOSITIONS AND A METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS MITSUBISHI KASEI CORPORATION (JP) 1982-02-03 EP disclosed
US-4229461-A Fungicidal 6-(3,5-dichlorophenyl)perhydroimidazo[5,1-b]thiazole derivatives MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1980-10-21 US disclosed