SCHEMBL2546850

SCHEMBL2546850

O=C1CSC(=S)N1C(=O)NC(CS)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ PLCG1 P19174 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ GSK3A P49840 4/20 0.36
▸ GSK3B P49841 4/20 0.36
▸ GAA P10253 4/20 0.32
▸ THRB P10828 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL16752590 0.86 MEN1 (0.35) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL4443839 0.80 MAPT (0.40) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL1043064 0.69 MAPT (0.49) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL1535280 0.66 GSK3A (0.52) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL5484818 0.62 GSK3A (0.52) MAPTALDH1A1POLBRECQLTDP1
Isothiocyanate SCHEMBL4409683 0.61 KMT2A (0.46) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL9651432 0.60 KMT2A (0.58) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL4427684 0.60 HSD17B10 (0.55) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL25573 0.60 GSK3A (0.47) MAPTALDH1A1POLBRECQLTDP1
SCHEMBL6790202 0.59 GSK3A (0.56) MAPTALDH1A1POLBRECQLTDP1

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
US-20110263037-A1 POLYMERIC MATERIALS INCORPORATING CORE-SHELL SILICA NANOPARTICLES CORNELL UNIVERSITY 2011-10-27 — — US disclosed
WO-2009140266-A2 POLYMERIC MATERIALS INCORPORATING CORE-SHELL SILICA NANOPARTICLES CORNELL UNIVERSITY (US) 2009-11-19 — — WO disclosed
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