SCHEMBL5317218

SCHEMBL5317218

O=C1NC(=S)S/C1=C/c1cc(Br)ccc1Oc1ccccc1Br.O=Cc1cc(Br)ccc1Oc1ccccc1Br

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 7/20 0.67
▸ GSK3B P49841 1/20 0.53
▸ NAT1 P18440 3/20 0.51
▸ PTPN1 P18031 2/20 0.49
▸ CISD1 Q9NZ45 3/20 0.49
▸ PDE4B Q07343 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ MGAM O43451 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45

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
SCHEMBL5317220 1.00 PTP4A3 (0.67) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL10090182 0.96 PTP4A3 (0.72) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL2065370 0.96 PTP4A3 (0.72) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL2065369 0.96 PTP4A3 (0.72) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL2065177 0.88 PTP4A3 (0.66) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL10090256 0.88 PTP4A3 (0.66) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL2065174 0.88 PTP4A3 (0.66) PTP4A3GSK3BNAT1PTPN1CISD1
SCHEMBL2065635 0.87 PTP4A3 (0.62) PTP4A3GSK3BNAT1CISD1PDE4B
SCHEMBL10090260 0.87 PTP4A3 (0.62) PTP4A3GSK3BNAT1CISD1PDE4B
SCHEMBL2065636 0.87 PTP4A3 (0.62) PTP4A3GSK3BNAT1CISD1PDE4B

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
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