SCHEMBL9017295

SCHEMBL9017295

CCC(=O)NCCCCN(CCCNC)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.59
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 1/20 0.33
DNM1 Q05193 1/20 0.33
NAAA Q02083 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL15065091 0.86 CA14 (0.62) CA14MEN1KMT2ATDP1MAOA
SCHEMBL9017341 0.86 CA14 (0.62) CA14MEN1KMT2ATDP1MAOA
SCHEMBL18136229 0.83 CA14 (0.54) CA14TDP1MAOAMAOBHDAC3
SCHEMBL14161171 0.81 CA14 (0.54) CA14MEN1KMT2ATDP1HDAC3
SCHEMBL16365608 0.80 MEN1 (0.52) CA14MEN1KMT2ATDP1RECQL
SCHEMBL13055410 0.80 CA14 (0.68) CA14MEN1KMT2ATDP1MAOA
SCHEMBL13865394 0.79 CA14 (0.48) CA14MEN1KMT2ATDP1MAOA
SCHEMBL13865393 0.78 CA14 (0.47) CA14MEN1KMT2ATDP1GAA
SCHEMBL9885948 0.78 CA14 (0.62) CA14MEN1KMT2ATDP1MAOA
SCHEMBL9017298 0.78 CA14 (0.46) CA14MEN1KMT2ATDP1MAOA

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-0600762-B1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER IND & SANTE (FR) 1996-07-10 EP disclosed
EP-0600762-A1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER INDUSTRIE ET SANTE (FR) 1994-06-08 EP disclosed