SCHEMBL28735535

SCHEMBL28735535

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CA1 P00915 7/20 0.48
▸ CA2 P00918 7/20 0.48
▸ CA12 O43570 6/20 0.48
▸ CA9 Q16790 6/20 0.48
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EPHX1 P07099 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ STK17B O94768 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL8694069 0.81 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17732185 0.81 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17732186 0.81 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3020258 0.81 TDP1 (0.81) TDP1MEN1KMT2AGAAMAOA
SCHEMBL23001525 0.80 MEN1 (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17742318 0.79 MEN1 (0.55) TDP1MEN1KMT2AGAAMAOA
SCHEMBL18622736 0.79 CNR1 (0.42) TDP1MEN1KMT2AGAAMAOA
SCHEMBL134329 0.79 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL343629 0.79 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL5162656 0.79 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA

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
CN-114466595-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2025-05-30 — — CN disclosed
CN-114466595-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-05-10 — — CN disclosed
Send feedback