SCHEMBL9017328

SCHEMBL9017328

CN=C(NCCCCCCCCNC(=O)CNC(=O)NCCCCN(CCCNC)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL9017308 1.00 CA14 (0.43) CA14TDP1MAOAMAOBMEN1
SCHEMBL9017301 0.87 CA14 (0.43) CA14TDP1MAOAMAOBMEN1
SCHEMBL9407458 0.87 CA14 (0.43) CA14TDP1MAOAMAOBMEN1
SCHEMBL9180042 0.86 CA14 (0.44) CA14TDP1MAOAMAOBMEN1
SCHEMBL9174006 0.86 CA14 (0.44) CA14TDP1MAOAMAOBMEN1
SCHEMBL9174000 0.86 CA14 (0.44) CA14TDP1MAOAMAOBMEN1
SCHEMBL9180050 0.86 CA14 (0.44) CA14TDP1MAOAMAOBMEN1
SCHEMBL9017298 0.82 CA14 (0.46) CA14TDP1MAOAMAOBMEN1
SCHEMBL15065091 0.77 CA14 (0.62) CA14TDP1MAOAMAOBMEN1
SCHEMBL9175615 0.76 CA14 (0.48) CA14TDP1MAOAMAOBMEN1

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