SCHEMBL18434855

SCHEMBL18434855

CN(C)CCN(C)c1cc2c(c3ncccc13)NSc1ccccc1-2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 17/20 0.62
▸ KCNMA1 Q12791 1/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL18434469 0.89 SLC40A1 (0.64) SLC40A1
SCHEMBL18434824 0.82 SLC40A1 (0.63) SLC40A1
SCHEMBL18434500 0.82 SLC40A1 (0.63) SLC40A1CYP2C19
SCHEMBL18434697 0.77 SLC40A1 (0.67) SLC40A1
SCHEMBL11972885 0.77 SLC40A1 (1.00) SLC40A1
SCHEMBL18434485 0.76 SLC40A1 (0.67) SLC40A1TDP1
SCHEMBL18434472 0.75 KDM4E (0.39) SLC40A1TDP1
SCHEMBL18434664 0.75 SLC40A1 (0.55) SLC40A1TDP1
SCHEMBL18434412 0.75 SLC40A1 (0.55) SLC40A1TDP1
SCHEMBL12475058 0.75 SLC40A1 (0.55) SLC40A1CYP2D6CYP2C19TDP1

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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