SCHEMBL18434500

SCHEMBL18434500

CN(C)CCNc1cc2c(c3ncccc13)NSc1ccccc1-2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 11/20 0.63
▸ NCF1 P14598 2/20 0.42
▸ KAT2B Q92831 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ACP1 P24666 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ TOP2A P11388 1/20 0.35

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
SCHEMBL18434844 0.87 SLC40A1 (0.63) SLC40A1NCF1KAT2BSLC2A1KDM4E
SCHEMBL18434826 0.85 SLC40A1 (0.63) SLC40A1NCF1KDM4EALDH1A1
SCHEMBL18434697 0.82 SLC40A1 (0.67) SLC40A1KDM4EALDH1A1RAD52
SCHEMBL18434855 0.82 SLC40A1 (0.62) SLC40A1CYP2C19
SCHEMBL18434824 0.81 SLC40A1 (0.63) SLC40A1KDM4EALDH1A1
SCHEMBL18434714 0.78 SLC40A1 (0.66) SLC40A1KDM4EALDH1A1POLBCYP2C19
SCHEMBL11973213 0.77 SLC40A1 (1.00) SLC40A1
SCHEMBL18434647 0.76 SLC40A1 (0.38) SLC40A1
SCHEMBL18434485 0.75 SLC40A1 (0.67) SLC40A1
SCHEMBL18434469 0.75 SLC40A1 (0.64) SLC40A1

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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