SCHEMBL18434469

SCHEMBL18434469

COCCN(C)c1cc2c(c3ncccc13)NSc1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 12/20 0.64
▸ GRM4 Q14833 3/20 0.36
▸ CRHR1 P34998 2/20 0.34
▸ CDC7 O00311 3/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL18434855 0.89 SLC40A1 (0.62) SLC40A1
SCHEMBL18434826 0.79 SLC40A1 (0.63) SLC40A1GRM4CDC7ROCK2PIM1
SCHEMBL18434824 0.79 SLC40A1 (0.63) SLC40A1
SCHEMBL11973003 0.78 SLC40A1 (1.00) SLC40A1
SCHEMBL18434500 0.75 SLC40A1 (0.63) SLC40A1
SCHEMBL18434654 0.74 SLC40A1 (0.58) SLC40A1
SCHEMBL18434664 0.73 SLC40A1 (0.55) SLC40A1
SCHEMBL18434472 0.73 KDM4E (0.39) SLC40A1
SCHEMBL12475058 0.73 SLC40A1 (0.55) SLC40A1
SCHEMBL18434412 0.73 SLC40A1 (0.55) 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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