SCHEMBL1897273

SCHEMBL1897273

CC(=O)Nc1ccc(NC(=O)c2cc(C)n(Cc3ccc(C)cc3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.80
KMT2A Q03164 1/20 0.80
USP2 O75604 1/20 0.58
THRB P10828 1/20 0.58
AURKA O14965 1/20 0.56
RPS6KB1 P23443 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
CPT2 P23786 1/20 0.51
CPT1A P50416 1/20 0.51
CPT1B Q92523 1/20 0.51
PTGER1 P34995 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RY14 Q15391 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL1899756 0.89 MEN1 (1.00) MEN1KMT2AAURKARPS6KB1NPSR1
SCHEMBL1902344 0.89 MEN1 (0.78) MEN1KMT2AAURKARPS6KB1NPSR1
SCHEMBL20344448 0.83 KMT2A (0.69) MEN1KMT2AAURKARPS6KB1NPSR1
SCHEMBL29699759 0.82 MEN1 (0.79) MEN1KMT2AAURKARPS6KB1NPSR1
SCHEMBL7744403 0.81 MEN1 (0.66) MEN1KMT2AAURKARPS6KB1NPSR1
4-Bromoaniline SCHEMBL7739202 0.79 MEN1 (0.80) MEN1KMT2AAURKARPS6KB1NPSR1
SCHEMBL3095032 0.78 KMT2A (0.62) MEN1KMT2ATHRBNPSR1MAPT
SCHEMBL7744713 0.78 KMT2A (0.62) MEN1KMT2AAURKARPS6KB1NPSR1
SCHEMBL2077298 0.78 MEN1 (0.62) MEN1KMT2APTGER1P2RY14HDAC3
SCHEMBL3097099 0.78 GAA (0.63) MEN1KMT2ANPSR1MAPTLMNA

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-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed