SCHEMBL18434854

SCHEMBL18434854

[O-][S+]1Nc2c(cc(N3CCCCC3)c3cccnc23)-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 6/20 0.59
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ TNNI3 P19429 1/20 0.39
▸ TNNT2 P45379 1/20 0.39
▸ TNNC1 P63316 1/20 0.39
▸ HTT P42858 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ROCK2 O75116 2/20 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
SCHEMBL18434505 0.89 SLC40A1 (0.60) SLC40A1MAPTMAPK1METAP1TSHR
SCHEMBL18434820 0.83 SLC40A1 (0.49) SLC40A1SMN1; SMN2MEN1CASP1KMT2A
SCHEMBL18434621 0.83 SLC40A1 (0.65) SLC40A1TDP1
SCHEMBL18434688 0.78 SLC40A1 (0.53) SLC40A1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL18434660 0.78 SLC40A1 (0.53) SLC40A1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL18434682 0.77 SLC40A1 (0.50) SLC40A1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL18434448 0.76 SLC40A1 (0.61) SLC40A1MAPTALDH1A1KDM4EMAPK1
SCHEMBL18434692 0.75 SLC40A1 (0.67) SLC40A1KDM4E
SCHEMBL18434849 0.74 SLC40A1 (0.60) SLC40A1MAPTALDH1A1KDM4EMAPK1
SCHEMBL11973802 0.74 SLC40A1 (1.00) SLC40A1MAPTALDH1A1KDM4EL3MBTL1

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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