SCHEMBL7303533

SCHEMBL7303533

COC(=O)COc1ccc(CCC(=O)Nc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 2/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL9270255 1.00 MEN1 (0.52) MEN1KMT2AHTTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL9271864 0.99 MEN1 (0.51) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL9273376 0.89 MEN1 (0.52) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL7293128 0.88 ITGB3 (0.54) MEN1KMT2AHDAC1ITGB3ITGA2B
SCHEMBL7297922 0.88 ITGB3 (0.54) MEN1KMT2AHDAC1ITGB3ITGA2B
SCHEMBL7493453 0.87 PRSS1 (0.58) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL9274240 0.86 MAPT (0.52) MEN1KMT2AHTTPOLBSMN1; SMN2
Iodide SCHEMBL9261540 0.85 MAPT (0.51) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL9268429 0.81 PSMB5 (0.56) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL9261433 0.81 PSMB5 (0.56) MEN1KMT2AHTTPOLBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP claimed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US claimed