SCHEMBL18434467

SCHEMBL18434467

C[SH]1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCNCC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 16/20 0.55
▸ ROCK1 Q13464 1/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ BMPR1B O00238 1/20 0.34
▸ BMPR1A P36894 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ MAPK14 Q16539 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
SCHEMBL11973787 0.79 SLC40A1 (0.86) SLC40A1
SCHEMBL18434464 0.79 SLC40A1 (0.55) SLC40A1ROCK1IKBKBBMPR1BBMPR1A
SCHEMBL11973348 0.74 SLC40A1 (0.80) SLC40A1
SCHEMBL18434808 0.73 SLC40A1 (0.51) SLC40A1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL11973548 0.71 SLC40A1 (1.00) SLC40A1
SCHEMBL18434709 0.71 SLC40A1 (0.65) SLC40A1
SCHEMBL11997135 0.70 SLC40A1 (0.68) SLC40A1
SCHEMBL2367123 0.67 PARP1 (0.53) SLC40A1ROCK1IKBKB
SCHEMBL11995693 0.65 SLC40A1 (1.00) SLC40A1
SCHEMBL18434807 0.65 SLC40A1 (0.70) 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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