SCHEMBL7997459

SCHEMBL7997459

Cc1c(CCl)cccc1SCCCl.Cc1c(CO)cccc1SCCO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.35
S100A4 P26447 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
STAT3 P40763 1/20 0.31
FGFR1 P11362 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7994038 0.88 HTR7 (0.33)
SCHEMBL7994077 0.88 PDCD1 (0.46) PDCD1CD274APOBEC3GS100A4CDC25A
SCHEMBL10365374 0.78 APOBEC3G (0.57) PDCD1CD274APOBEC3G
SCHEMBL7974379 0.78 ALDH1A1 (0.34) PDCD1CD274APOBEC3GKDM4EMAPK1
SCHEMBL7997463 0.73 PDCD1 (0.32) PDCD1CD274
SCHEMBL7975278 0.69 PDCD1 (0.33) PDCD1CD274APOBEC3GKDM4EMAPK1
SCHEMBL16957698 0.69 PDCD1 (0.50) PDCD1CD274APOBEC3G
SCHEMBL7963854 0.69 PDCD1 (0.37) PDCD1CD274APOBEC3GKDM4EMAPK1
SCHEMBL7977537 0.69 MAPK1 (0.35) CDC25ACDC25BKDM4EMAPK1
SCHEMBL10367304 0.68 APOBEC3G (0.53) APOBEC3G

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed