SCHEMBL24922131

SCHEMBL24922131

CC(C)(C)OC(=O)N[C@H]1C[C@@H](Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-n5cccn5)nc4)cc3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
BTK Q06187 3/20 0.38
PIK3CD O00329 1/20 0.37
SYK P43405 1/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRNA7 P36544 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL30212506 1.00 KMT2A (0.39) KMT2AMEN1CYP1A2CYP2C19BTK
SCHEMBL30988311 1.00 KMT2A (0.39) KMT2AMEN1CYP1A2CYP2C19BTK
SCHEMBL27233970 0.91 KMT2A (0.40) KMT2AMEN1CYP1A2CYP2C19FAAH
SCHEMBL27233975 0.91 KMT2A (0.40) KMT2AMEN1CYP1A2CYP2C19FAAH
SCHEMBL24921783 0.83 PIK3CD (0.40) KMT2ABTKPIK3CDCKS1BSKP1
SCHEMBL30212383 0.83 PIK3CD (0.40) KMT2ABTKPIK3CDCKS1BSKP1
SCHEMBL27233916 0.82 CHRNA7 (0.39) KMT2AMEN1CYP1A2CYP2C19FAAH
SCHEMBL27233918 0.82 CHRNA7 (0.39) KMT2AMEN1CYP1A2CYP2C19FAAH
SCHEMBL24922679 0.81 BTK (0.42) KMT2ABTKPIK3CDCKS1BSKP1
SCHEMBL24922304 0.81 BTK (0.42) KMT2ABTKPIK3CDCKS1BSKP1

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
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed