SCHEMBL27420128

SCHEMBL27420128

CC(C)(C)OC(=O)NCCNC(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA12 O43570 7/20 0.44
CA1 P00915 7/20 0.44
CA2 P00918 7/20 0.44
CA9 Q16790 7/20 0.44
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL3341020 0.85 TDP1 (0.67) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL11175075 0.85 TDP1 (0.50) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL6417492 0.84 TDP1 (0.56) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL2384161 0.83 TDP1 (0.51) EPHX1TDP1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL26105926 0.82 TDP1 (0.55) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL14365835 0.82 EPHX1 (0.57) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL23394950 0.80 TDP1 (0.56) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL31301269 0.80 TDP1 (0.56) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL15049400 0.80 MAOA (0.57) EPHX1TDP1MEN1GAAKMT2A
SCHEMBL15427310 0.79 TDP1 (0.60) EPHX1TDP1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637748-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-29 EP disclosed
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed