SCHEMBL8916932

SCHEMBL8916932

S=[C]NCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.59
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KCNH2 Q12809 1/20 0.53
MIF P14174 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
NAAA Q02083 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1270016 0.94 SIGMAR1 (0.59) SIGMAR1MIFL3MBTL1NAAA
SCHEMBL11107579 0.92 SIGMAR1 (0.62) SIGMAR1MIFL3MBTL1NAAA
SCHEMBL11103198 0.92 SIGMAR1 (0.62) SIGMAR1MIFL3MBTL1NAAA
SCHEMBL4874908 0.87 NPC1 (0.52) SIGMAR1KCNH2MIFL3MBTL1
SCHEMBL2074321 0.79 SIGMAR1 (0.59) SIGMAR1KMT2AMEN1KCNH2L3MBTL1
Hydrochloric Acid SCHEMBL8171548 0.78 SIGMAR1 (0.57) SIGMAR1KMT2AMEN1KCNH2L3MBTL1
SCHEMBL10709659 0.76 SIGMAR1 (0.67) SIGMAR1KMT2AMEN1L3MBTL1HPGD
SCHEMBL10752258 0.76 SIGMAR1 (0.67) SIGMAR1KMT2AMEN1L3MBTL1HPGD
SCHEMBL4254894 0.75 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL10395208 0.75 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205181-C Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUOTS LT (DK) 2005-06-08 CN disclosed
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed