SCHEMBL24922128

SCHEMBL24922128

COc1ccc(C(C)(C)c2ccc(Oc3ccc(-n4cccn4)nc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPBWR1 P48145 1/20 0.39
EGLN1 Q9GZT9 3/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL15849062 0.83 KMT2A (0.61) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL24922678 0.82 NPBWR1 (0.37) KMT2AMEN1HPGDNPSR1LMNA
SCHEMBL27233918 0.82 CHRNA7 (0.39) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL27233916 0.82 CHRNA7 (0.39) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL24922287 0.81 GRN (0.37) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL30212531 0.80 NPC1 (0.57) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL27233975 0.77 KMT2A (0.40) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL27233970 0.77 KMT2A (0.40) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL24922131 0.75 KMT2A (0.39) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL30988311 0.75 KMT2A (0.39) KMT2AMEN1CYP1A2CYP2C19KDM4E

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