SCHEMBL24920518

SCHEMBL24920518

COCc1cnc(N2CCOCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
AOC3 Q16853 2/20 0.46
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
CNR2 P34972 1/20 0.41
KMT2A Q03164 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL24921761 0.81 HDAC3 (0.46) POLBTSHRCYP1A2KDM4EALDH1A1
SCHEMBL10272665 0.81 POLB (0.53) POLBAOC3TSHRCYP1A2MAPK1
SCHEMBL18885167 0.80 CYP11B1 (0.56) POLBAOC3CYP1A2SMN1; SMN2KDM4E
SCHEMBL24437753 0.79 GPR119 (0.51) AOC3KDM4EALDH1A1GPR119HPGD
SCHEMBL21791392 0.78 GPR119 (0.45) AOC3KDM4EALDH1A1GPR119KMT2A
SCHEMBL24921466 0.77 POLB (0.53) POLBTSHRCYP1A2MAPK1SMN1; SMN2
SCHEMBL29203454 0.77 POLB (0.53) POLBAOC3TSHRMAPK1SMN1; SMN2
SCHEMBL568265 0.77 POLB (0.53) POLBAOC3TSHRMAPK1SMN1; SMN2
SCHEMBL8191281 0.77 POLB (0.57) POLBAOC3TSHRMAPK1KDM4E
SCHEMBL27086563 0.76 GPR119 (0.47) AOC3KDM4EGPR119KMT2A

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