SCHEMBL28638706

SCHEMBL28638706

CC1(C)OB(c2ccc(Oc3ccc(C#N)cc3)cc2C(Br)Br)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
CHRM1 P11229 1/20 0.45
ADRA1A P35348 1/20 0.45
PDE1A P54750 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE3A Q14432 1/20 0.45
TDP2 O95551 1/20 0.35
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28641413 0.88 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL23030124 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL21749923 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL23030349 0.81 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL30241151 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL28874966 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL28628153 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10269295 0.78 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL20299566 0.78 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5801922 0.76 CA1 (0.49) PDE4BPDE4APDE4CPDE4DCHRM1

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
CN-113336781-A Preparation method of clitorium 江西同和药业股份有限公司 2021-09-03 CN disclosed