SCHEMBL5535353

SCHEMBL5535353

Nc1ccc(C(=O)SNN=Cc2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 4/20 0.50
▸ AGTR1 P30556 3/20 0.50
▸ OPRK1 P41145 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ASF1A Q9Y294 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TOP2A P11388 1/20 0.45

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
SCHEMBL15741867 0.87 RAB9A (0.65) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL23062734 0.80 RAB9A (0.79) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL13906018 0.80 RAB9A (0.79) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL1025210 0.75 AGTR1 (0.46) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL13826730 0.70 NPC1 (0.68) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL14517019 0.70 RAB9A (0.71) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6490600 0.69 TUBB4A (0.63) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL4801570 0.69 TUBB4A (0.63) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL8939918 0.68 RAB9A (0.74) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL28631970 0.68 NPC1 (0.69) RAB9ANPC1KMT2AMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608623-A4 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF NEWSOUTH INNOVATIONS PTY LTD (AU) 2007-07-18 — — EP disclosed
EP-1608623-A1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF UNISEARCH LIMITED (AU) 2005-12-28 — — EP disclosed
WO-2004069801-A1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF UNISEARCH LIMITED (AU) 2004-08-19 — — WO disclosed
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