SCHEMBL29112231

SCHEMBL29112231

Nc1ccc(COC(=O)OC(=O)CCC(CN2C(=O)CCC2=O)Sc2ccccn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
ANPEP P15144 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL177981 0.77 ALDH1A1 (0.46) PKMLMNAMEN1KMT2A
SCHEMBL23235917 0.68 LMNA (0.39) LMNAMEN1KMT2AATM
SCHEMBL910535 0.64 ALDH1A1 (0.45) KMT2A
SCHEMBL159766 0.63 SMN1; SMN2 (0.39) LMNAMEN1KMT2A
SCHEMBL29120330 0.63 SMN1; SMN2 (0.36) LMNAMEN1KMT2AATM
SCHEMBL9359541 0.62 LMNA (0.41) PKMLMNAMEN1KMT2A
SCHEMBL26323603 0.62 LTA4H (0.50) PKMMEN1KMT2A
SCHEMBL23859813 0.62 SMN1; SMN2 (0.38) LMNAMEN1KMT2A
SCHEMBL27537171 0.62 ALDH1A1 (0.47) LMNAMEN1KMT2A
SCHEMBL13065050 0.62 CCNE1 (0.36) LMNAMEN1KMT2A

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
CN-117120458-A Peptide ligands targeting carbonic anhydrase IX, peptide structures comprising the same, and uses thereof C-比奥麦克斯有限公司 2023-11-24 CN disclosed