Isothiocyanate

Isothiocyanate

SCHEMBL4594925

CCN1C(=O)CSC1=S.N=C=S

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 8/20 0.50
GSK3B P49841 8/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
GAA P10253 6/20 0.43
ALDH1A1 P00352 5/20 0.42
RECQL P46063 3/20 0.42
HTT P42858 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.38

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
SCHEMBL153669 0.91
Ammonia Solution, Strong SCHEMBL28792111 0.89 GSK3A (0.56) GSK3AGSK3BMEN1KMT2AGAA
Acetic Acid SCHEMBL9131138 0.82 GSK3A (0.64) GSK3AGSK3BMEN1KMT2AGAA
Isothiocyanate SCHEMBL28928634 0.78 GSK3A (0.46) GSK3AGSK3BMEN1KMT2AGAA
Morpholine SCHEMBL4579822 0.76 GSK3A (0.44) GSK3AGSK3BMEN1KMT2AGAA
3-Methyl-Rhodanine SCHEMBL25418661 0.76 GSK3A (0.80) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL3138532 0.76 GSK3A (0.56) GSK3AGSK3BMEN1KMT2AGAA
Thiazolidine SCHEMBL27361507 0.74 GSK3A (0.43) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL3062340 0.74 GSK3A (0.62) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL2788487 0.73 MEN1 (0.59) GSK3AGSK3BMEN1KMT2AGAA

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