SCHEMBL18434464

SCHEMBL18434464

Clc1cc2c(c3ncccc13)NSc1ccc(OC3CCNCC3)cc1-2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 12/20 0.55
▸ ROCK1 Q13464 1/20 0.39
▸ IKBKB O14920 1/20 0.36
▸ BMPR1B O00238 1/20 0.36
▸ BMPR1A P36894 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PRKCZ Q05513 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
SCHEMBL18434808 0.94 SLC40A1 (0.51) SLC40A1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL18434709 0.92 SLC40A1 (0.65) SLC40A1CCR1CCR8L3MBTL1
SCHEMBL18434807 0.83 SLC40A1 (0.70) SLC40A1
SCHEMBL18434474 0.80 SLC40A1 (0.71) SLC40A1
SCHEMBL18434683 0.80 SLC40A1 (0.62) SLC40A1CCR1CCR8L3MBTL1
SCHEMBL11973787 0.79 SLC40A1 (0.86) SLC40A1
SCHEMBL18434467 0.79 SLC40A1 (0.55) SLC40A1ROCK1IKBKBBMPR1BBMPR1A
SCHEMBL18434845 0.78 SLC40A1 (0.58) SLC40A1CCR1CCR8L3MBTL1
SCHEMBL18434461 0.76 SLC40A1 (0.69) SLC40A1
SCHEMBL18434412 0.75 SLC40A1 (0.55) SLC40A1CCR1CCR8L3MBTL1

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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