SCHEMBL12483085

SCHEMBL12483085

O=C(O)c1cccc(C=Nc2ccccc2S)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ TLR2 O60603 1/20 0.53
▸ TLR1 Q15399 1/20 0.53
▸ TLR6 Q9Y2C9 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ MPI P34949 1/20 0.44

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
SCHEMBL15456652 1.00 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL11405560 0.79 AKR1C3 (0.76) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL7700519 0.79 AKR1C3 (0.76) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL27804353 0.78 ALDH1A1 (0.63) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL27804352 0.78 ALDH1A1 (0.63) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL3068132 0.75 CA12 (0.75) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL6655954 0.75 CA12 (0.75) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL11409315 0.74 HPGD (0.69) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL11494062 0.74 CA12 (0.58) AKR1C3AKR1C2AKR1C1TLR2TLR1
SCHEMBL10812989 0.74 HPGD (0.69) AKR1C3AKR1C2AKR1C1TLR2TLR1

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-2678457-B1 METHOD FOR EXTRACTION AND SEPARATION OF LANTHANOID ELEMENTS AND ACTINOID ELEMENTS, AND MEANS FOR EXTRACTION AND SEPARATION OF LANTHANOID ELEMENTS AND ACTINOID ELEMENTS NAT INST MATERIALS SCIENCE (JP) 2020-04-08 — — EP disclosed
US-9267188-B2 Method for extraction and separation of lanthanoid elements and actinoid elements, and means for extraction and separation of lanthanoid elements and actinoid elements NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2016-02-23 — — US disclosed
US-20140033868-A1 Method For Extraction And Separation Of Lanthanoid Elements And Actinoid Elements, And Means For Extraction And Separation Of Lanthanoid Elements And Actinoid Elements NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2014-02-06 — — US disclosed
WO-2012115273-A1 METHOD FOR EXTRACTION AND SEPARATION OF LANTHANOID ELEMENTS AND ACTINOID ELEMENTS, AND MEANS FOR EXTRACTION AND SEPARATION OF LANTHANOID ELEMENTS AND ACTINOID ELEMENTS NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2012-08-30 — — WO disclosed
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