SCHEMBL18434689

SCHEMBL18434689

Clc1cc2c(c3ncccc13)NSc1ccc(N3CCCCC3)cc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 14/20 0.52
▸ METAP2 P50579 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ PPP1CA P62136 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL18434497 0.90 SLC40A1 (0.65) SLC40A1METAP2KDM4EMAPTHTT
SCHEMBL18434841 0.90 SLC40A1 (0.52) SLC40A1METAP2ALDH1A1KDM4EMAPT
SCHEMBL18434845 0.79 SLC40A1 (0.58) SLC40A1METAP2ALDH1A1KDM4EMAPT
SCHEMBL18434412 0.78 SLC40A1 (0.55) SLC40A1METAP2ALDH1A1KDM4EMAPT
SCHEMBL11973792 0.78 SLC40A1 (0.82) SLC40A1
SCHEMBL18434682 0.78 SLC40A1 (0.50) SLC40A1METAP2ALDH1A1KDM4EMAPT
SCHEMBL18434496 0.76 SLC40A1 (0.61) SLC40A1ALDH1A1KDM4EMAPTHTT
SCHEMBL18434673 0.76 SLC40A1 (0.44) SLC40A1METAP2ALDH1A1KDM4EMAPT
SCHEMBL18434448 0.76 SLC40A1 (0.61) SLC40A1ALDH1A1KDM4EMAPTHTT
SCHEMBL18434709 0.76 SLC40A1 (0.65) SLC40A1ALDH1A1KDM4EMAPTHTT

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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