SCHEMBL1138640

SCHEMBL1138640

O=C(O)c1ncccc1OBc1ccc(CN2CCOCC2)cc1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
PRKD3 O94806 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
JAK2 O60674 2/20 0.41
PIK3CD O00329 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL3184231 0.78 PDE4B (0.44) PDE4BSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL1138032 0.76 PDE4B (0.65) PDE4BSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL1138587 0.67 SLC6A9 (0.35) ALDH1A1KDM4E
SCHEMBL4649682 0.67 PDE4B (0.69) PDE4BSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL28790611 0.66 KMO (0.51) ALDH1A1L3MBTL1MAPTTSHRNPSR1
SCHEMBL5043172 0.66 POLB (0.60) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3184235 0.66 SMN1; SMN2 (0.42) PDE4BSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL1138527 0.65 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL2479793 0.65 MAPT (0.53) SMN1; SMN2ALDH1A1L3MBTL1HTTMAPT
SCHEMBL31554953 0.64 HRH3 (0.60) SMN1; SMN2ALDH1A1HPGDHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed