SCHEMBL8981397

SCHEMBL8981397

Cc1cnc(O)c(C)c1SCCN1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2B P41595 2/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ATM Q13315 1/20 0.41
MAOB P27338 2/20 0.41
CD44 P16070 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL8914425 0.72 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL19273977 0.70 KDM4E (0.67) KDM4EALDH1A1LMNATDP1HTR1A
SCHEMBL8915296 0.70 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL9535704 0.68 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8914818 0.68 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8914989 0.67 KDM4E (0.61) KDM4EALDH1A1LMNATDP1L3MBTL1
SCHEMBL13487187 0.65 MAOA (0.59) KDM4EALDH1A1HTR1AHTR2AHTR7
SCHEMBL1193409 0.65 HDAC3 (0.59) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL30381429 0.65 HDAC3 (0.59) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL3246920 0.65 MAOA (0.59) KDM4EALDH1A1HTR1AHTR2AHTR7

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
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed