SCHEMBL14464056

SCHEMBL14464056

O=C1NC(=S)S/C1=C\c1cc(Br)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 5/20 1.00
▸ NAT1 P18440 2/20 0.66
▸ CISD1 Q9NZ45 6/20 0.64
▸ GSK3B P49841 2/20 0.62
▸ MYC P01106 1/20 0.60
▸ MAX P61244 1/20 0.60
▸ MAOB P27338 2/20 0.54
▸ PLA2G1B P04054 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ CDC7 O00311 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ DAPK3 O43293 1/20 0.53
▸ DYRK3 O43781 1/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ MAP4K4 O95819 1/20 0.53
▸ PRKCG P05129 1/20 0.53
▸ CDK1 P06493 1/20 0.53

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
SCHEMBL18102943 0.86 PTP4A3 (0.75) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL8174040 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL14464046 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1CRHBPCRHR2
SCHEMBL14464055 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL13616173 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL13499558 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1MYCMAX
SCHEMBL3405858 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL18102858 0.83 PTP4A3 (0.75) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL8174037 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1GSK3BMYC
SCHEMBL14463959 0.83 PTP4A3 (0.71) PTP4A3NAT1CISD1CRHBPCRHR2

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-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 — — WO disclosed
Send feedback