SCHEMBL30736865

SCHEMBL30736865

COC(=O)C(C#N)c1cc(OC)c(-c2c(C)noc2C)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.38
BRD2 P25440 6/20 0.38
BRD3 Q15059 6/20 0.38
ERN1 O75460 2/20 0.37
NR3C1 P04150 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
HDAC1 Q13547 2/20 0.34
FTO Q9C0B1 1/20 0.34

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
SCHEMBL16156542 0.93 ALDH1A1 (0.39) BRD4BRD2BRD3ERN1NR3C1
SCHEMBL16156601 0.82 BRD4 (0.40) BRD4BRD2ERN1MEN1KMT2A
SCHEMBL18949744 0.78 NR3C1 (0.47) BRD4BRD2BRD3ERN1NR3C1
SCHEMBL187593 0.77 ALDH1A1 (0.43) MEN1PKMKMT2ACYP3A4
SCHEMBL18947836 0.76 NR3C1 (0.41) BRD4BRD2BRD3ERN1NR3C1
SCHEMBL17045363 0.76 BRD4 (0.38) BRD4BRD2ERN1MEN1KMT2A
SCHEMBL17045622 0.75 BRD4 (0.36) BRD4BRD2ERN1MEN1PKM
SCHEMBL19422771 0.74 BRD4 (0.45) BRD4BRD2BRD3ERN1NR3C1
SCHEMBL17045504 0.74 BRD4 (0.37) BRD4BRD2ERN1MEN1KMT2A
SCHEMBL16156662 0.74 BRD4 (0.44) BRD4BRD2ERN1MEN1KMT2A

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-4580405-A1 COMPOSITIONS AND METHODS FOR TARGETED INHIBITION AND DEGRADATION OF PROTEINS IN AN INSECT CELL Oerth Bio LLC (US) 2025-07-09 EP disclosed
WO-2024050016-A9 COMPOSITIONS AND METHODS FOR TARGETED INHIBITION AND DEGRADATION OF PROTEINS IN AN INSECT CELL OERTH BIO LLC (US) 2025-04-03 WO disclosed
WO-2024050016-A1 COMPOSITIONS AND METHODS FOR TARGETED INHIBITION AND DEGRADATION OF PROTEINS IN AN INSECT CELL OERTH BIO LLC (US) 2024-03-07 WO disclosed