SCHEMBL25129552

SCHEMBL25129552

CN(CCNC(=O)OC(C)(C)C)CCN(C)CCN(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
EPHX1 P07099 1/20 0.38
MVD P53602 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
IDO1 P14902 1/20 0.36
CA14 Q9ULX7 2/20 0.36
CA7 P43166 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL1404486 0.97 MEN1 (0.49) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL13055395 0.88 TDP1 (0.55) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL25235106 0.88 TDP1 (0.57) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL18429539 0.87 MEN1 (0.49) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL3290424 0.83 TDP1 (0.46) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL20968689 0.83 TDP1 (0.46) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL24029924 0.83 TDP1 (0.46) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL29239019 0.82 MEN1 (0.50) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL3167773 0.82 MEN1 (0.50) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL17209068 0.82 TDP1 (0.49) MEN1GAAKMT2ATDP1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118556062-A Compounds, pharmaceutical compositions and methods for treating, preventing or managing hyperproliferative disorders 文赛克斯制药有限责任公司 2024-08-27 CN disclosed
EP-4412655-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER Vincerx Pharma GmbH (DE) 2024-08-14 EP disclosed
EP-4412656-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS Vincerx Pharma GmbH (DE) 2024-08-14 EP disclosed
WO-2023057812-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
WO-2023057813-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
WO-2023057812-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed