SCHEMBL18434402

SCHEMBL18434402

CCN(CC)c1ccnc2c3c(ccc12)-c1ccccc1SN3

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 16/20 0.60
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ AR P10275 1/20 0.30

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
SCHEMBL18434654 0.86 SLC40A1 (0.58) SLC40A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18434626 0.81 SLC40A1 (0.41) SLC40A1MAPT
SCHEMBL11973237 0.78 SLC40A1 (0.49) SLC40A1
SCHEMBL11973691 0.77 SLC40A1 (0.55) SLC40A1
SCHEMBL18434792 0.77 SLC40A1 (0.55) SLC40A1ALDH1A1MAPTL3MBTL1
SCHEMBL18434662 0.76 SLC40A1 (0.58) SLC40A1
SCHEMBL18434832 0.76 SLC40A1 (0.58) SLC40A1
SCHEMBL18434399 0.75 SLC40A1 (0.57) SLC40A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11973258 0.75 SLC40A1 (1.00) SLC40A1ALDH1A1MAPTL3MBTL1
SCHEMBL18434844 0.74 SLC40A1 (0.63) SLC40A1ALDH1A1

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
Send feedback