SCHEMBL18434529

SCHEMBL18434529

[O-][S+]1Nc2c(cc(Cl)c3cccnc23)C2=CC(N3CCCCC3)CC=C21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ SLC40A1 Q9NP59 12/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL18434682 0.71 SLC40A1 (0.50) ALDH1A1METAP2SLC40A1KDM4EMAPT
SCHEMBL18434633 0.66 KDM4E (0.36) ALDH1A1SLC40A1KDM4EMAPTL3MBTL1
SCHEMBL18434678 0.65 SLC40A1 (0.57) ALDH1A1METAP2SLC40A1KDM4EMAPT
SCHEMBL18434821 0.64 SLC40A1 (0.64) SLC40A1KDM4EMAPTL3MBTL1HTT
SCHEMBL18434854 0.62 SLC40A1 (0.59) ALDH1A1SLC40A1KDM4EMAPTL3MBTL1
SCHEMBL18434817 0.61 SLC40A1 (0.57) METAP2SLC40A1KDM4EL3MBTL1
SCHEMBL18434471 0.61 SLC40A1 (0.66) ALDH1A1METAP2SLC40A1KDM4EMAPT
SCHEMBL18434695 0.58 SLC40A1 (0.63) SLC40A1KDM4EL3MBTL1CCR1CCR8
SCHEMBL18434689 0.58 SLC40A1 (0.52) ALDH1A1METAP2SLC40A1KDM4EMAPT
SCHEMBL20665823 0.55 ALDH1A1 (0.61) ALDH1A1METAP2KDM4EMAPTL3MBTL1

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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