SCHEMBL28055441

SCHEMBL28055441

Cc1cn(OB(O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 3/20 0.37
FABP4 P15090 2/20 0.37
KDM4E B2RXH2 3/20 0.37
NQO2 P16083 1/20 0.37
HTR6 P50406 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GPR3 P46089 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34

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
SCHEMBL788705 0.76 MEN1 (0.45) MEN1KMT2ASLC6A2SLC6A4FABP4
Hydrochloric Acid SCHEMBL3247223 0.75 MEN1 (0.44) MEN1KMT2ASLC6A2SLC6A4FABP4
SCHEMBL27559450 0.74 MEN1 (0.51) MEN1KMT2ASLC6A2FABP4KDM4E
SCHEMBL26185613 0.74 HTR2A (0.54) HTR6
SCHEMBL8089258 0.73 MEN1 (0.50) MEN1KMT2AFABP4KDM4ENQO2
SCHEMBL13107371 0.72 MEN1 (0.41) MEN1KMT2ASLC6A2SLC6A4FABP4
SCHEMBL28670259 0.72 MEN1 (0.45) MEN1KMT2ASLC6A2FABP4KDM4E
SCHEMBL27818053 0.70 MEN1 (0.44) MEN1KMT2ASLC6A2SLC6A4FABP4
SCHEMBL8927744 0.70 MEN1 (0.46) MEN1KMT2ASLC6A2SLC6A4FABP4
SCHEMBL28805445 0.70 GPR3 (0.41) MEN1KMT2AFABP4KDM4ELMNA

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-105272967-A Triazine epidermal growth factor acceptor inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO LTD 2016-01-27 CN disclosed