SCHEMBL18434654

SCHEMBL18434654

CN(C)c1ccnc2c3c(ccc12)-c1ccccc1SN3

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 16/20 0.58
▸ HPGD P15428 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18434402 0.86 SLC40A1 (0.60) SLC40A1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11973691 0.80 SLC40A1 (0.55) SLC40A1
SCHEMBL18434792 0.80 SLC40A1 (0.55) SLC40A1LMNAMAPTL3MBTL1MEN1
SCHEMBL11973454 0.79 SLC40A1 (0.63) SLC40A1MEN1KMT2A
SCHEMBL18434626 0.79 SLC40A1 (0.41) SLC40A1LMNAMAPTTSHR
SCHEMBL18434662 0.79 SLC40A1 (0.58) SLC40A1
SCHEMBL18434832 0.79 SLC40A1 (0.58) SLC40A1MEN1KMT2A
SCHEMBL18434844 0.77 SLC40A1 (0.63) SLC40A1POLBALDH1A1
SCHEMBL18434785 0.76 SLC40A1 (0.58) SLC40A1TSHRMAPK1ALDH1A1
SCHEMBL11973717 0.75 SLC40A1 (0.47) SLC40A1L3MBTL1

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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