SCHEMBL30733869

SCHEMBL30733869

NCCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ NCOR2 Q9Y618 3/20 0.41
▸ CRBN Q96SW2 9/20 0.40
▸ DDB1 Q16531 4/20 0.40
▸ CA2 P00918 2/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ IL1B P01584 1/20 0.39
▸ IKZF1 Q13422 1/20 0.39
▸ IKZF3 Q9UKT9 1/20 0.39
▸ AXL P30530 3/20 0.38
▸ STAT3 P40763 3/20 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
SCHEMBL19453082 0.97 HDAC3 (0.41) HDAC1HDAC2HDAC3NCOR2CRBN
SCHEMBL26064740 0.89 CRBN (0.41) CRBNDDB1CA2MAP1LC3BBRD4
SCHEMBL27273664 0.89 CRBN (0.41) CRBNDDB1CA2MAP1LC3BBRD4
SCHEMBL20933002 0.85 HDAC3 (0.43) HDAC1HDAC2HDAC3NCOR2CRBN
SCHEMBL21554525 0.85 CRBN (0.42) CRBNDDB1MAP1LC3BBRD4TNF
SCHEMBL22857748 0.84 CRBN (0.36) HDAC1HDAC2HDAC3NCOR2CRBN
SCHEMBL19453081 0.82 CRBN (0.41) HDAC1HDAC2HDAC3NCOR2CRBN
SCHEMBL19451425 0.82 CRBN (0.37) CRBNDDB1CA2MAP1LC3BBRD4
SCHEMBL22857769 0.80 CRBN (0.46) HDAC1HDAC3CRBNDDB1MAP1LC3B
SCHEMBL19541654 0.80 HDAC1 (0.40) HDAC1HDAC2CRBNDDB1MAP1LC3B

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
EP-4519273-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS Paq Therapeutics Inc. (US) 2025-03-12 — — EP disclosed
WO-2023215906-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS HANGZHOU JIJING PHARMACEUTICALTECHNOLOGY LIMITED (CN) 2023-11-09 — — WO disclosed
Send feedback