SCHEMBL9026560

SCHEMBL9026560

C=CCOC(=O)N1C[C@H](O)C[C@H]1Cc1ccnc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
GRM2 Q14416 1/20 0.31
POLB P06746 1/20 0.31
PDE4A P27815 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
ENPP2 Q13822 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL9027880 0.90 FNTA (0.33) SIGMAR1GRM2PDE4APRMT5WDR77
SCHEMBL9027888 0.90 FNTA (0.33) SIGMAR1GRM2PDE4APRMT5WDR77
SCHEMBL9027157 0.87 MMP2 (0.33) SIGMAR1GRM2
SCHEMBL9027149 0.87 MMP2 (0.33) SIGMAR1GRM2
SCHEMBL9027929 0.85 POLB (0.36) SIGMAR1POLB
SCHEMBL9027003 0.84 OPRK1 (0.33) SIGMAR1POLB
SCHEMBL9026999 0.84 OPRK1 (0.33) SIGMAR1POLB
SCHEMBL9027017 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL9027013 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL9026631 0.83 ECE1 (0.37) PDCD1CD274PRMT5WDR77FNTA

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed