SCHEMBL18434668

SCHEMBL18434668

N#Cc1ccc2c(c1)-c1ccc3cccnc3c1N[S+]2[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 12/20 0.56
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GLO1 Q04760 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ NFKB1 P19838 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
SCHEMBL16285217 0.78 SLC40A1 (0.58) SLC40A1MEN1KMT2AKDM4ELMNA
SCHEMBL18434454 0.76 SLC40A1 (0.53) SLC40A1MEN1KMT2AKDM4ELMNA
SCHEMBL16285219 0.75 SLC40A1 (0.62) SLC40A1MEN1KMT2AKDM4ELMNA
SCHEMBL16285218 0.75 SLC40A1 (0.45) SLC40A1MEN1KMT2AKDM4ELMNA
SCHEMBL11973742 0.75 SLC40A1 (0.60) SLC40A1MEN1KMT2AGLO1KDM4E
SCHEMBL18434687 0.73 SLC40A1 (0.48) SLC40A1MEN1KMT2AKDM4ELMNA
SCHEMBL11995664 0.72 SLC40A1 (1.00) SLC40A1MEN1KMT2AKDM4ELMNA
SCHEMBL1994732 0.65 CCR1 (0.57) SLC40A1MEN1KMT2AGLO1KDM4E
SCHEMBL30492680 0.65 CCR1 (0.57) SLC40A1MEN1KMT2AGLO1KDM4E
SCHEMBL5094221 0.64 MMP2 (0.47) SLC40A1MEN1KMT2AGLO1KDM4E

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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