SCHEMBL8187019

SCHEMBL8187019

O=C1NC(=S)/C(=C/c2cc3ccccc3c3ccccc23)S1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 18/20 0.60
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TTR P02766 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ TDP2 O95551 1/20 0.50
▸ PNP P00491 2/20 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
SCHEMBL8187020 1.00 TDP1 (0.60) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL15101827 0.86 TTR (0.69) TDP1MEN1KMT2AGAAMAPT
SCHEMBL8173296 0.86 PIM1 (0.51) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL8173297 0.86 PIM1 (0.51) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL14226362 0.81 PIM1 (0.71) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL14860998 0.77 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL14861001 0.77 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL14861000 0.77 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL14860983 0.75 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL14860985 0.75 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1GAA

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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