SCHEMBL10840751

SCHEMBL10840751

COc1ccc(OC)c2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.57
PDE3A Q14432 2/20 0.57
PDE4A P27815 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
CSNK2A1 P68400 2/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
MAPT P10636 3/20 0.41
NQO2 P16083 1/20 0.39
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2172029 0.87 CSNK2A1 (0.50) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2170731 0.87 PDE4B (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL13304018 0.85 PDE4B (0.46) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL38661070 0.81 PDE4B (0.41) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2848037 0.80 PDE4B (0.52) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL10409117 0.79 PDE4B (0.42) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL9688854 0.79 PDE4B (0.47) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3128212 0.78 PDE4B (0.46) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL20327434 0.78 PDE4B (0.46) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3118083 0.77 PDE4B (0.50) PDE4BPDE3APDE4APDE4CPDE4D

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
US-4581349-A Certain benzodiimidazoles and their use as radiation sensitizers UNIVERSITY OF MARYLAND (US) 1986-04-08 US disclosed