SCHEMBL1138527

SCHEMBL1138527

CN(C)CCOc1ccc(BOc2cccnc2C(=O)O)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SLC6A9 P48067 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CXCR1 P25024 1/20 0.37
ESRRG P62508 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL1138587 0.83 SLC6A9 (0.35) KDM4EALDH1A1SLC6A9CXCR1TDP1
SCHEMBL3179156 0.75 HRH3 (0.48) KDM4EHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL1138366 0.75 HRH3 (0.48) KDM4EHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL10712243 0.69 RAB9A (0.51) KDM4EALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL27544139 0.68 HRH3 (0.51) KDM4EHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL1138640 0.65 PDE4B (0.53) KDM4EALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL1958163 0.64 HRH3 (0.48) KDM4EHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL6598625 0.63 HRH3 (0.69) KDM4EHRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL8126082 0.62 RARB (0.63) KDM4EMAPK1ACHEPOLB
SCHEMBL7222905 0.62 KDM4E (0.77) KDM4EALDH1A1SLC6A9SMN1; SMN2LMNA

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