SCHEMBL8915967

SCHEMBL8915967

Cc1c(SCCN2CCc3ccccc3C2)ccnc1CSc1nc2ccccc2n1C(=O)O.Cc1c(SCCN2CCc3ccccc3C2)ccnc1CSc1nc2ccccc2n1C(=O)O.[CH2]C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35

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
SCHEMBL8914963 0.90 L3MBTL1 (0.43) ALDH1A1KDM4EGAAPRMT5WDR77
SCHEMBL8914425 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTPRMT5
SCHEMBL8914916 0.77 RAB9A (0.49) ALDH1A1KDM4E
SCHEMBL8914183 0.76 GAA (0.50) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL8914024 0.76 L3MBTL1 (0.45) ALDH1A1KDM4EMAPTGAA
SCHEMBL8914888 0.76 DRD2 (0.42) ALDH1A1KDM4ELMNAMAPTPRMT5
SCHEMBL5109272 0.76 CYP3A4 (0.52) ALDH1A1MAPTPTGDR2
SCHEMBL8915296 0.75 KDM4E (0.52) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL5106665 0.73 PDE10A (0.43) ALDH1A1KDM4ELMNAMAPT
SCHEMBL8915109 0.73 RAB9A (0.43) ALDH1A1KDM4ELMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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