SCHEMBL18434808

SCHEMBL18434808

Clc1cc2c(c3ncccc13)NSc1ccc(OC3CCNC3)cc1-2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 5/20 0.51
▸ PRKCZ Q05513 5/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL18434464 0.94 SLC40A1 (0.55) SLC40A1PRKCZBMPR1BBMPR1AACVRL1
SCHEMBL18434709 0.89 SLC40A1 (0.65) SLC40A1
SCHEMBL18434474 0.84 SLC40A1 (0.71) SLC40A1
SCHEMBL11973348 0.80 SLC40A1 (0.80) SLC40A1
SCHEMBL18434807 0.80 SLC40A1 (0.70) SLC40A1
SCHEMBL18434683 0.78 SLC40A1 (0.62) SLC40A1
SCHEMBL18434845 0.77 SLC40A1 (0.58) SLC40A1
SCHEMBL11973787 0.74 SLC40A1 (0.86) SLC40A1
SCHEMBL18434461 0.74 SLC40A1 (0.69) SLC40A1
SCHEMBL18434412 0.74 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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