SCHEMBL18434725

SCHEMBL18434725

N#Cc1ccc(SNc2cccc3cccnc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 9/20 0.57
▸ GLO1 Q04760 5/20 0.43
▸ HTT P42858 3/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MMP8 P22894 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
SCHEMBL18434720 0.78 SLC40A1 (0.62) SLC40A1KDM4EMEN1KMT2APAX8
SCHEMBL11973112 0.72 SLC40A1 (0.58) SLC40A1GLO1HTTALOX15CYP3A4
SCHEMBL11973714 0.72 SLC40A1 (1.00) SLC40A1GLO1HTTTDP1MAPT
SCHEMBL1996991 0.69 CCR1 (0.61) SLC40A1GLO1HTTALOX15CYP3A4
SCHEMBL7704782 0.68 GLO1 (0.51) SLC40A1GLO1HTTALOX15CYP3A4
SCHEMBL17749155 0.65 GLO1 (0.56) SLC40A1GLO1HTTALOX15CYP3A4
SCHEMBL2481131 0.65 CYP3A4 (0.61) SLC40A1GLO1HTTALOX15CYP3A4
SCHEMBL31130165 0.65 CYP3A4 (0.61) SLC40A1GLO1HTTALOX15CYP3A4
SCHEMBL379216 0.65 GLO1 (0.59) SLC40A1GLO1HTTALOX15CYP3A4
Hydrochloric Acid SCHEMBL28066152 0.64 CYP3A4 (0.59) SLC40A1GLO1HTTALOX15CYP3A4

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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