SCHEMBL18434666

SCHEMBL18434666

[O-][S+]1Nc2c(c(F)cc3cccnc23)-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.55
▸ NPC1 O15118 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NFKBIA P25963 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CCR1 P32246 4/20 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
SCHEMBL18434660 0.76 SLC40A1 (0.53) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL18434408 0.72 SLC40A1 (0.57) SLC40A1NPC1KDM4EMAPTL3MBTL1
SCHEMBL11973562 0.71 SLC40A1 (1.00) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL18434454 0.71 SLC40A1 (0.53) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL18434688 0.68 SLC40A1 (0.53) SLC40A1NPC1KDM4EMAPTL3MBTL1
SCHEMBL18434668 0.65 SLC40A1 (0.56) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL18434687 0.65 SLC40A1 (0.48) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL16285217 0.64 SLC40A1 (0.58) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL18434678 0.64 SLC40A1 (0.57) SLC40A1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL14224305 0.62 ALDH1A1 (0.62) SLC40A1NPC1KDM4EMAPTL3MBTL1

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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