SCHEMBL18434857

SCHEMBL18434857

O=C(CN1CCOCC1)c1cc2c(c3ncccc13)NSc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 6/20 0.49
▸ MAPT P10636 6/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 6/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ APP P05067 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 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
SCHEMBL18434803 0.86 SLC40A1 (0.66) SLC40A1SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL11973554 0.81 SLC40A1 (0.75) SLC40A1
SCHEMBL11973826 0.79 KDM4E (0.46) SLC40A1KDM4EL3MBTL1RAB9A
SCHEMBL18434714 0.79 SLC40A1 (0.66) SLC40A1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL18434504 0.78 SLC40A1 (0.62) SLC40A1MAPTTSHR
SCHEMBL18434693 0.76 SLC40A1 (0.69) SLC40A1KDM4ENPSR1APP
SCHEMBL18434472 0.72 KDM4E (0.39) SLC40A1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL18434697 0.71 SLC40A1 (0.67) SLC40A1SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL18434849 0.71 SLC40A1 (0.60) SLC40A1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL18434448 0.70 SLC40A1 (0.61) SLC40A1MAPTSMN1; SMN2KDM4EALDH1A1

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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