SCHEMBL8181804

SCHEMBL8181804

CCCCCCCCCCOc1ccc(/C=C2/SC(=N)NC2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.67
▸ PIM2 Q9P1W9 2/20 0.67
▸ POLB P06746 1/20 0.64
▸ CISD1 Q9NZ45 2/20 0.61
▸ XDH P47989 1/20 0.58
▸ HPGD P15428 9/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MRE11 P49959 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PPARG P37231 1/20 0.50

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
SCHEMBL8181421 1.00 PIM1 (0.67) PIM1PIM2POLBCISD1XDH
SCHEMBL8181424 1.00 PIM1 (0.67) PIM1PIM2POLBCISD1XDH
SCHEMBL8181806 1.00 PIM1 (0.67) PIM1PIM2POLBCISD1XDH
SCHEMBL12685642 0.96 PIM1 (0.71) PIM1PIM2POLBCISD1XDH
SCHEMBL13846898 0.85 PIM1 (0.67) PIM1PIM2POLBCISD1MEN1
SCHEMBL8310047 0.84 PIM1 (0.68) PIM1PIM2POLBCISD1HPGD
SCHEMBL8186886 0.84 PIM1 (0.64) PIM1PIM2POLBCISD1HPGD
SCHEMBL8186882 0.84 PIM1 (0.64) PIM1PIM2POLBCISD1HPGD
SCHEMBL8182042 0.84 POLB (0.65) PIM1PIM2POLBCISD1XDH
SCHEMBL8182040 0.84 POLB (0.65) PIM1PIM2POLBCISD1XDH

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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