SCHEMBL18434468

SCHEMBL18434468

O=C(NCCN1CCCCC1)c1ccnc2c3c(ccc12)-c1ccccc1SN3

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PARP1 P09874 2/20 0.43
▸ APP P05067 1/20 0.43
▸ POLR1A O95602 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ WNT1 P04628 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 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 0.89 SLC40A1 (0.69) SLC40A1NPSR1PARP1APPPOLR1A
SCHEMBL18434470 0.85 SLC40A1 (0.72) SLC40A1NPSR1PARP1APPPOLR1A
SCHEMBL11995698 0.82 SLC40A1 (1.00) SLC40A1
SCHEMBL11973273 0.78 SLC40A1 (0.63) SLC40A1
SCHEMBL11973717 0.76 SLC40A1 (0.47) SLC40A1KDM4E
SCHEMBL11973515 0.75 SLC40A1 (0.61) SLC40A1PARP1KDM4E
SCHEMBL11973454 0.72 SLC40A1 (0.63) SLC40A1MEN1KMT2A
SCHEMBL11973237 0.72 SLC40A1 (0.49) SLC40A1KMT2A
SCHEMBL11997105 0.71 SLC40A1 (1.00) SLC40A1PARP1
SCHEMBL18434697 0.70 SLC40A1 (0.67) SLC40A1WNT1DYRK1AKDM4ELMNA

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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