SCHEMBL18434697

SCHEMBL18434697

CN(C)CCNC(=O)c1cc2c(c3ncccc13)NSc1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 7/20 0.67
▸ RAD52 P43351 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MOK Q9UQ07 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ UHRF1 Q96T88 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL18434500 0.82 SLC40A1 (0.63) SLC40A1RAD52ALDH1A1KDM4E
SCHEMBL18434693 0.82 SLC40A1 (0.69) SLC40A1KDM4EWNT1DYRK1A
SCHEMBL11997104 0.80 SLC40A1 (1.00) SLC40A1
SCHEMBL11973826 0.79 KDM4E (0.46) SLC40A1KDM4E
SCHEMBL18434855 0.77 SLC40A1 (0.62) SLC40A1
SCHEMBL18434824 0.76 SLC40A1 (0.63) SLC40A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18434844 0.74 SLC40A1 (0.63) SLC40A1RAD52ALDH1A1KDM4E
SCHEMBL18434469 0.73 SLC40A1 (0.64) SLC40A1
SCHEMBL18434472 0.72 KDM4E (0.39) SLC40A1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL18434826 0.72 SLC40A1 (0.63) SLC40A1HTTALDH1A1SMN1; SMN2KDM4E

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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