SCHEMBL18434853

SCHEMBL18434853

O=C(c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2)N1CCC(O)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 13/20 0.69
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL18434850 0.95 SLC40A1 (0.70) SLC40A1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL18434773 0.88 SLC40A1 (0.59) SLC40A1
SCHEMBL18434473 0.88 SLC40A1 (0.68) SLC40A1ALDH1A1NPSR1
SCHEMBL11973325 0.81 SLC40A1 (1.00) SLC40A1
SCHEMBL18434461 0.80 SLC40A1 (0.69) SLC40A1
SCHEMBL18434807 0.79 SLC40A1 (0.70) SLC40A1
SCHEMBL18434694 0.78 SLC40A1 (0.65) SLC40A1
SCHEMBL18434474 0.77 SLC40A1 (0.71) SLC40A1
SCHEMBL11973455 0.77 SLC40A1 (1.00) SLC40A1
SCHEMBL18434677 0.75 SLC40A1 (0.68) SLC40A1MEN1KMT2A

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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