SCHEMBL24890940

SCHEMBL24890940

C=C/C=C(/CC)CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 4/20 0.33
CTSK P43235 4/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CTSS P25774 3/20 0.33
CA14 Q9ULX7 2/20 0.33
CA9 Q16790 2/20 0.33
CA7 P43166 1/20 0.33
EPHX1 P07099 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CTSL P07711 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
SCHEMBL26026002 1.00 TDP1 (0.39) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL22821066 0.80 TDP1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL16787367 0.80 TDP1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL22374283 0.80 TDP1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL22477320 0.80 TDP1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL24890937 0.77 MEN1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL19143260 0.77 MEN1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL22701449 0.76 TDP1 (0.38) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL26216894 0.76 TDP1 (0.36) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL13015606 0.75 TDP1 (0.46) TDP1MAOAMAOBKMT2AMEN1

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-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed