SCHEMBL5779014

SCHEMBL5779014

CCOC(=O)c1c[nH]nc1Cc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
SLC26A6 Q9BXS9 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
TSHR P16473 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL5055900 0.86 KDM4E (0.48) SMN1; SMN2TDP1KDM4EGAAMAPT
SCHEMBL5820787 0.85 PDE3B (0.42) PDE3BPDE3AJAK2JAK3SMN1; SMN2
SCHEMBL5778710 0.84 SMN1; SMN2 (0.52) PDE3BPDE3APOLBSMN1; SMN2TDP1
SCHEMBL5779020 0.84 PTGES (0.48) PDE3BPDE3APTGESALOX5SLC26A6
SCHEMBL6856480 0.83 HCAR2 (0.54) HCAR2
SCHEMBL5820742 0.82 KDM4E (0.44) PDE3BPDE3APOLBSMN1; SMN2TSHR
SCHEMBL29026435 0.78 MAPT (0.49) ALOX5SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL5779565 0.78 L3MBTL1 (0.48) PDE3BPDE3AJAK2JAK3SLC26A6
SCHEMBL15957045 0.76 PTGES (0.53) PDE3BPDE3APTGESALOX5JAK2
SCHEMBL30091541 0.76 PTGES (0.53) PDE3BPDE3APTGESALOX5JAK2

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-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed