SCHEMBL14910704

SCHEMBL14910704

COc1cc(-c2cc(N)[nH]n2)ccc1OC(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.67
PDE4A P27815 4/20 0.67
PDE4B Q07343 4/20 0.67
PDE4C Q08493 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MAPK1 P28482 3/20 0.67
PDE3B Q13370 2/20 0.67
PDE3A Q14432 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
HPGD P15428 1/20 0.67
TSHR P16473 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48

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
SCHEMBL20575703 0.87 PDE4A (0.60) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL14911053 0.83 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL14910816 0.82 LMNA (0.45) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL2056467 0.80 SMN1; SMN2 (0.57) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
Zardaverine SCHEMBL15263214 0.80 PDE4A (1.00) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
Zardaverine SCHEMBL13334 0.80 PDE4A (1.00) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
Zardaverine SCHEMBL29388700 0.80 PDE4A (1.00) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL29892342 0.78 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL19283081 0.78 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL10200469 0.77 MAPT (0.46) PDE4DPDE4APDE4BPDE4CSMN1; SMN2

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-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed