SCHEMBL24292003

SCHEMBL24292003

CC(C)(C)OC(=O)NCCCCCCN/C=C(/B1OC(C)(C)C(C)(C)O1)C(=N)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CA12 O43570 5/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DRD2 P14416 2/20 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
SCHEMBL24291379 0.94 TDP1 (0.36) TDP1MAOAMAOBCA12CA1
SCHEMBL24292009 0.78 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL24291378 0.69 TDP1 (0.40) TDP1MAOAMAOBCA12CA1
SCHEMBL25649015 0.69 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL19337989 0.69 TDP1 (0.69) TDP1MAOAMAOBCA12CA1
SCHEMBL25015343 0.69 MAOA (0.53) TDP1MAOAMAOBCA12CA1
SCHEMBL31729473 0.69 TDP1 (0.51) TDP1MAOAMAOBCA12CA1
SCHEMBL5162656 0.68 TDP1 (0.85) TDP1MAOAMAOBCA12CA1
SCHEMBL343629 0.68 TDP1 (0.85) TDP1MAOAMAOBCA12CA1
SCHEMBL134329 0.68 TDP1 (0.85) TDP1MAOAMAOBCA12CA1

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
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
Send feedback