SCHEMBL18434709

SCHEMBL18434709

Clc1cc2c(c3ncccc13)NSc1ccc(OC3CCCC3)cc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 17/20 0.65
▸ CCR1 P32246 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX15B O15296 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL18434464 0.92 SLC40A1 (0.55) SLC40A1CCR1CCR8L3MBTL1
SCHEMBL18434808 0.89 SLC40A1 (0.51) SLC40A1
SCHEMBL18434461 0.83 SLC40A1 (0.69) SLC40A1PDE4D
SCHEMBL18434683 0.81 SLC40A1 (0.62) SLC40A1CCR1CCR8L3MBTL1KDM4E
SCHEMBL18434845 0.80 SLC40A1 (0.58) SLC40A1CCR1CCR8L3MBTL1KDM4E
SCHEMBL11973548 0.78 SLC40A1 (1.00) SLC40A1
SCHEMBL18434412 0.77 SLC40A1 (0.55) SLC40A1CCR1CCR8L3MBTL1KDM4E
SCHEMBL18434807 0.76 SLC40A1 (0.70) SLC40A1
SCHEMBL18434689 0.76 SLC40A1 (0.52) SLC40A1CCR1CCR8L3MBTL1KDM4E
SCHEMBL18434673 0.75 SLC40A1 (0.44) SLC40A1CCR1CCR8L3MBTL1KDM4E

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
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 — — EP disclosed
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