SCHEMBL9548868

SCHEMBL9548868

CNC(=O)c1ccc(CBr)cc1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.39
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
FASN P49327 5/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SRC P12931 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
PTGDR Q13258 2/20 0.36
BRD4 O60885 1/20 0.35
PDK2 Q15119 1/20 0.35
OPRK1 P41145 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
SCHEMBL9220646 0.80 PTGDR2 (0.50) FASNKMT2APTGDR2PDK2
SCHEMBL3911363 0.75 GAA (0.47) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL5517055 0.73 GAA (0.49) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL20542375 0.72 GAA (0.51) KDM4EKMT2ALMNA
SCHEMBL9548910 0.72 NAMPT (0.40) ADRB3FASNMAPTBRD4
SCHEMBL28421308 0.71 CAMKK2 (0.47) NUDT1BACE1
SCHEMBL5509735 0.71 PDK2 (0.41) FASNKDM4EMAPTPDK2
SCHEMBL349054 0.70 CYP4F2 (0.45) KDM4EMAPT
SCHEMBL3963722 0.69 HDAC6 (0.46) NUDT1BACE1KDM4ELMNA
SCHEMBL7443727 0.69 KDM4E (0.49) NUDT1BACE1FASNKDM4EMEN1

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-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed