SCHEMBL18434470

SCHEMBL18434470

O=C(NCCN1CCCCC1)c1ccnc2c3c(ccc12)-c1ccccc1ON3

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PARP1 P09874 1/20 0.44
▸ POLR1A O95602 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ APP P05067 1/20 0.42
▸ WNT1 P04628 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL18434468 0.85 SLC40A1 (0.70) SLC40A1NPSR1PARP1POLR1AKCNH2
SCHEMBL11995698 0.84 SLC40A1 (1.00) SLC40A1
SCHEMBL18434693 0.75 SLC40A1 (0.69) SLC40A1NPSR1PARP1POLR1AKCNH2
SCHEMBL11997105 0.72 SLC40A1 (1.00) SLC40A1PARP1
SCHEMBL18434692 0.71 SLC40A1 (0.67) SLC40A1NPSR1PARP1POLR1AKCNH2
SCHEMBL6030117 0.66 KDM4E (0.74) KDM4EHSD17B10
SCHEMBL2964718 0.66 IKBKB (0.57) NPSR1KDM4EHSD17B10IKBKBLMNA
SCHEMBL7330236 0.65 KMT2A (0.67) KDM4EHSD17B10LMNAMAPT
SCHEMBL13164063 0.65 NPSR1 (0.58) NPSR1POLR1AKDM4EHSD17B10
SCHEMBL11277010 0.65 KDM4E (0.61) NPSR1KDM4EHSD17B10IKBKBLMNA

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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