SCHEMBL8186307

SCHEMBL8186307

O=C1NC(=S)C(=Cc2cccs2)S1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.71
▸ PIM1 P11309 1/20 0.63
▸ TDP1 Q9NUW8 15/20 0.58
▸ PNP P00491 2/20 0.54
▸ HTT P42858 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL8186306 1.00 GSK3B (0.71) GSK3BPIM1TDP1PNPHTT
SCHEMBL1250017 0.83 GSK3B (1.00) GSK3BPIM1TDP1HTTNPC1
SCHEMBL1250019 0.83 GSK3B (1.00) GSK3BPIM1TDP1HTTNPC1
SCHEMBL8178919 0.77 PIM1 (1.00) GSK3BPIM1TDP1HTTNPC1
SCHEMBL8176936 0.77 PIM1 (1.00) GSK3BPIM1TDP1HTTNPC1
SCHEMBL2685792 0.76 TDP1 (0.70) PIM1TDP1PNP
SCHEMBL2685789 0.76 TDP1 (0.70) PIM1TDP1PNP
SCHEMBL19546477 0.76 TDP1 (0.70) PIM1TDP1PNP
SCHEMBL14860992 0.73 TDP1 (1.00) GSK3BTDP1PNPRAB9AMEN1
SCHEMBL14860991 0.73 TDP1 (1.00) GSK3BTDP1PNPRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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