SCHEMBL4594922

SCHEMBL4594922

CCN1C(=O)C(N=C=S)SC1=S

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
F2 P00734 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
CTRC Q99895 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL1264768 0.69 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11393459 0.66 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4360183 0.58 PSMD14 (0.41)
SCHEMBL13871460 0.56 F2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
Isothiocyanate SCHEMBL4594925 0.55 GSK3A (0.50) ALDH1A1MEN1KMT2AGAA
SCHEMBL5915574 0.55 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28492345 0.55 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13074585 0.54 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1361452 0.53 F2 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL153669 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497650-A4 A METHOD FOR DETECTING LYSOSOMAL STORAGE DISEASES SEIKAGAKU KOGYO CO LTD (JP) 2008-04-02 EP disclosed
EP-1497650-A2 A METHOD FOR DETECTING LYSOSOMAL STORAGE DISEASES SEIKAGAKU CORPORATION (JP) 2005-01-19 EP disclosed
WO-2003092601-A2 A METHOD FOR DETECTING LYSOSOMAL STORAGE DISEASES SEIKAGAKU CORPORATION (JP) 2003-11-13 WO disclosed
WO-1993015406-A1 METHODS AND APPARATUS FOR ASSAY OF SULPHATED POLYSACCHARIDES IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDECINE (GB) 1993-08-05 WO disclosed