SCHEMBL9405061

SCHEMBL9405061

O=C1NC(=S)SC1=Cc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 1/20 0.66
▸ NAT1 P18440 6/20 0.58
▸ CISD1 Q9NZ45 3/20 0.54
▸ MAOA P21397 1/20 0.54
▸ CA2 P00918 1/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ DNM1 Q05193 1/20 0.51
▸ PIM1 P11309 3/20 0.51
▸ MYC P01106 2/20 0.50
▸ MAX P61244 2/20 0.50
▸ IDH1 O75874 1/20 0.47

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
SCHEMBL13499576 0.80 PTP4A3 (0.72) PTP4A3NAT1CISD1MAOACA2
SCHEMBL11315685 0.76 NAT1 (0.70) PTP4A3NAT1CISD1MAOACA2
SCHEMBL11315688 0.76 NAT1 (0.70) PTP4A3NAT1CISD1MAOACA2
SCHEMBL13499560 0.74 PTP4A3 (0.65) PTP4A3NAT1CISD1CA2EPHX1
SCHEMBL8310652 0.74 NAT1 (1.00) NAT1CISD1MAOACA2EPHX1
SCHEMBL9427043 0.74 NAT1 (1.00) NAT1CISD1MAOACA2EPHX1
SCHEMBL8310654 0.74 NAT1 (1.00) NAT1CISD1MAOACA2EPHX1
SCHEMBL18102933 0.74 NAT1 (0.62) PTP4A3NAT1CISD1CA2EPHX1
SCHEMBL14660903 0.74 PIM1 (0.62) PTP4A3NAT1CISD1CA2EPHX1
SCHEMBL13846835 0.74 PIM1 (0.62) PTP4A3NAT1CISD1CA2EPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331321-B1 Organic polymeric material and ion-exchange membrane produced therefrom ICI PLC (GB) 1994-10-26 — — EP disclosed
US-5169983-A Perfluorinated intermediates which are useful in the production of organic polymeric materials and ion-exchange membrane IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-08 — — US disclosed
US-5001163-A Organic polymeric material and ion-exchange membrane with pendant carbocyclic exchanging groups produced IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-19 — — US disclosed
EP-0331321-A2 Organic polymeric material and ion-exchange membrane produced therefrom IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-06 — — EP disclosed
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