SCHEMBL7975333

SCHEMBL7975333

Cc1c(CO)cccc1SCCn1ncnn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
POLB P06746 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL7983842 0.79 GAA (0.38) PDCD1CD274POLB
SCHEMBL7994077 0.74 PDCD1 (0.46) PDCD1CD274APOBEC3G
SCHEMBL7975381 0.73 SMN1; SMN2 (0.49) POLB
SCHEMBL7994549 0.68 LMNA (0.45) POLB
SCHEMBL16957698 0.65 PDCD1 (0.50) PDCD1CD274APOBEC3G
SCHEMBL7997459 0.65 PDCD1 (0.37) PDCD1CD274APOBEC3G
SCHEMBL7963854 0.65 PDCD1 (0.37) PDCD1CD274POLBAPOBEC3G
SCHEMBL7994239 0.64 CYP1A2 (0.49) PDCD1CD274POLBAPOBEC3G
SCHEMBL6424004 0.62 PDCD1 (0.64) PDCD1CD274APOBEC3G
SCHEMBL7994393 0.61 ALDH1A1 (0.42) PDCD1CD274POLB

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed