SCHEMBL28978050

SCHEMBL28978050

CC(C)(C)C(=O)ON1CCC(n2cc([N+](=O)[O-])c(C(F)F)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21070609 0.84 ALDH1A1 (0.44) MAPTALDH1A1
SCHEMBL28977993 0.82 KDM5A (0.35) KDM5A
SCHEMBL29768198 0.80 KDM5A (0.38) KDM5AMAPTMEN1ALDH1A1KMT2A
SCHEMBL31628804 0.79 ALDH1A1 (0.43) MAPTALDH1A1
SCHEMBL31205669 0.78 JAK1 (0.41) KMT2A
SCHEMBL21791740 0.78 ALDH1A1 (0.41) KDM5AMAPTALDH1A1
SCHEMBL23728461 0.78 ACHE (0.35)
SCHEMBL25817050 0.78 PDE4D (0.33) KDM5AMAPTMEN1ALDH1A1KMT2A
SCHEMBL25986239 0.78 PDE4D (0.33) KDM5AMAPTMEN1ALDH1A1KMT2A
SCHEMBL25986279 0.78 PDE4D (0.33) KDM5AMAPTMEN1ALDH1A1KMT2A

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-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 CN disclosed