SCHEMBL30475445

SCHEMBL30475445

COc1cccc(C(=O)NN2CCC(N3CC4(CCN(c5ncc(C6CCC(=O)NC6=O)cn5)CC4)C3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.44
CRBN Q96SW2 3/20 0.44
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL31487556 0.88 DDB1 (0.50) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL30923234 0.86 DDB1 (0.45) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL30136013 0.79 DDB1 (0.36) DDB1CRBNALDH1A1JAK2TSHR
SCHEMBL25826487 0.76 PLK1 (0.54)
SCHEMBL25819058 0.76 PLK1 (0.60)
SCHEMBL30923265 0.75 DDB1 (0.43) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL30923306 0.75 HSD11B1 (0.45) ALDH1A1KMT2AHPGDGAALMNA
SCHEMBL25825240 0.75 CRBN (0.41) DDB1CRBN
SCHEMBL30479013 0.74 DDB1 (0.47) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL30478999 0.73 DDB1 (0.43) DDB1CRBNALDH1A1KMT2AMEN1

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
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed