SCHEMBL2925826

SCHEMBL2925826

O=C(c1cccnc1)N(c1cccc(Cl)c1)c1ccc(OC(F)F)c(O[C@@H]2CCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4B Q07343 6/20 0.42
PDE4D Q08499 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4C Q08493 5/20 0.42
GRM5 P41594 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
PKM P14618 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HCRTR1 O43613 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
SCHEMBL2930395 1.00 MAPT (0.42) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2924639 0.93 PDE4D (0.45) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2928459 0.92 PDE4B (0.44) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2926137 0.90 PDE4B (0.45) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2929410 0.88 PDE4D (0.40) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2931797 0.86 PDE4D (0.47) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2929288 0.85 PDE4D (0.42) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2928952 0.84 PDE4D (0.39) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL1157789 0.83 PDE4B (0.38) MAPTLMNAPOLBKMT2APDE4B
SCHEMBL2927645 0.81 PDE4B (0.48) MAPTLMNAPOLBKMT2APDE4B

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
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP claimed