SCHEMBL8178908

SCHEMBL8178908

O=C1NC(=S)S/C1=C/c1ccc(O)c(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 1.00
MYC P01106 3/20 0.73
MAX P61244 2/20 0.73
CISD1 Q9NZ45 3/20 0.68
IL1RN P18510 1/20 0.65
ERAP1 Q9NZ08 1/20 0.65
PIM1 P11309 3/20 0.64
GSK3B P49841 2/20 0.64
DYRK1A Q13627 2/20 0.64
PIM3 Q86V86 2/20 0.64
PIM2 Q9P1W9 2/20 0.64
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
CDC7 O00311 1/20 0.64
PLK4 O00444 1/20 0.64
DAPK3 O43293 1/20 0.64
DYRK3 O43781 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
PRKCG P05129 1/20 0.64

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
SCHEMBL8178911 1.00 PTP4A3 (1.00) PTP4A3MYCMAXCISD1IL1RN
SCHEMBL6448804 0.88 PTP4A3 (0.78) PTP4A3MYCMAXCISD1PIM1
SCHEMBL6450013 0.88 PTP4A3 (0.78) PTP4A3MYCMAXCISD1PIM1
SCHEMBL6448803 0.88 PTP4A3 (0.78) PTP4A3MYCMAXCISD1PIM1
SCHEMBL8179904 0.85 PTP4A3 (0.74) PTP4A3MYCMAXCISD1IL1RN
SCHEMBL8179901 0.85 PTP4A3 (0.74) PTP4A3MYCMAXCISD1IL1RN
SCHEMBL15421744 0.85 MYC (1.00) PTP4A3MYCMAXCISD1IL1RN
SCHEMBL15421743 0.85 MYC (1.00) PTP4A3MYCMAXCISD1IL1RN
SCHEMBL15421742 0.85 MYC (1.00) PTP4A3MYCMAXCISD1IL1RN
SCHEMBL6413629 0.84 PTP4A3 (0.73) PTP4A3MYCMAXCISD1PIM1

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-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed