SCHEMBL18434840

SCHEMBL18434840

CN(C)CCNC(=O)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1N[S+]2[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 9/20 0.53
▸ KDM4E B2RXH2 3/20 0.39
▸ TET3 O43151 1/20 0.39
▸ TET2 Q6N021 1/20 0.39
▸ TET1 Q8NFU7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CSNK2A3 Q8NEV1 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18434463 0.89 SLC40A1 (0.67) SLC40A1KDM4EHPGDTP53KMT2A
SCHEMBL18434695 0.84 SLC40A1 (0.63) SLC40A1KDM4EL3MBTL1
SCHEMBL11995690 0.80 SLC40A1 (0.80) SLC40A1
SCHEMBL18434817 0.76 SLC40A1 (0.57) SLC40A1KDM4EL3MBTL1
SCHEMBL18434471 0.74 SLC40A1 (0.66) SLC40A1KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL18434678 0.71 SLC40A1 (0.57) SLC40A1KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL11997084 0.71 SLC40A1 (0.68) SLC40A1
SCHEMBL18434466 0.70 SLC40A1 (0.69) SLC40A1KDM4EHPGDTP53KMT2A
SCHEMBL11995689 0.69 SLC40A1 (1.00) SLC40A1
SCHEMBL18434682 0.68 SLC40A1 (0.50) SLC40A1KDM4EL3MBTL1ALDH1A1LMNA

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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