SCHEMBL18434803

SCHEMBL18434803

O=C(c1cc2c(c3ncccc13)NSc1ccccc1-2)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.66
▸ PLAUR Q03405 8/20 0.48
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL18434857 0.86 SLC40A1 (0.49) SLC40A1ALDH1A1LMNATSHRKDM4E
SCHEMBL11973826 0.81 KDM4E (0.46) SLC40A1KDM4E
SCHEMBL18434504 0.81 SLC40A1 (0.62) SLC40A1TSHR
SCHEMBL11973290 0.80 SLC40A1 (1.00) SLC40A1
SCHEMBL18434473 0.79 SLC40A1 (0.68) SLC40A1ALDH1A1LMNATSHRKDM4E
SCHEMBL18434483 0.75 SLC40A1 (0.50) SLC40A1SMN1; SMN2
SCHEMBL18434714 0.75 SLC40A1 (0.66) SLC40A1ALDH1A1LMNATSHRKDM4E
SCHEMBL18434693 0.74 SLC40A1 (0.69) SLC40A1KDM4E
SCHEMBL18434472 0.74 KDM4E (0.39) SLC40A1ALDH1A1LMNAKDM4EHTT
SCHEMBL18434849 0.73 SLC40A1 (0.60) SLC40A1ALDH1A1TSHRKDM4EHTT

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
Send feedback