SCHEMBL18434692

SCHEMBL18434692

O=C(NCCN1CCCCC1)c1cc2c(c3ncccc13)N[S+]([O-])c1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.67
▸ PARP1 P09874 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMYD2 Q9NRG4 4/20 0.41
▸ WNT1 P04628 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ APP P05067 1/20 0.40
▸ POLR1A O95602 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL18434693 0.81 SLC40A1 (0.69) SLC40A1PARP1NPSR1SMYD2WNT1
SCHEMBL11997105 0.80 SLC40A1 (1.00) SLC40A1PARP1
SCHEMBL18434712 0.76 SLC40A1 (0.64) SLC40A1PARP1KDM4EHSD17B10
SCHEMBL18434854 0.75 SLC40A1 (0.59) SLC40A1KDM4E
SCHEMBL18434820 0.75 SLC40A1 (0.49) SLC40A1APP
SCHEMBL18434470 0.71 SLC40A1 (0.72) SLC40A1PARP1NPSR1WNT1DYRK1A
SCHEMBL18434468 0.70 SLC40A1 (0.70) SLC40A1PARP1NPSR1WNT1DYRK1A
SCHEMBL18434621 0.70 SLC40A1 (0.65) SLC40A1
SCHEMBL11995698 0.69 SLC40A1 (1.00) SLC40A1
SCHEMBL18434688 0.69 SLC40A1 (0.53) SLC40A1PARP1NPSR1KDM4E

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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