SCHEMBL5982995

SCHEMBL5982995

COc1cc[c]c(F)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL7071376 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DFABP3
SCHEMBL7198230 0.80 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DFABP3
SCHEMBL5676543 0.79 KMT2A (0.40) PDE4BPDE4APDE4CPDE4DFABP3
SCHEMBL7152266 0.76 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DFABP3
SCHEMBL8013535 0.75 LMNA (0.36) ALDH1A1MAPTLMNA
SCHEMBL27773949 0.75 FABP4 (0.47) PDE4BPDE4APDE4CPDE4DFABP3
Hydrochloric Acid SCHEMBL30310852 0.74 CA1 (0.55) PDE4BPDE4APDE4CPDE4DFABP3
SCHEMBL8079925 0.73 HSD17B1 (0.33) KDM4ESMN1; SMN2NPC1L3MBTL1LMNA
SCHEMBL6250246 0.73 LMNA (0.34) ALDH1A1MAPTLMNAHPGD
SCHEMBL533456 0.72 CA12 (0.35) CA12CA1CA2CA4CA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO claimed
EP-1218739-A4 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-04 EP claimed
EP-1218739-A1 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2002-07-03 EP claimed
WO-2001023887-A1 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed