SCHEMBL24920835

SCHEMBL24920835

COc1cnnc(-c2nnco2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.51
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.36
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL24921146 0.77 CCR1 (0.59) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24921604 0.75 NOTUM (0.50) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL12923857 0.75 NOTUM (0.62) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24920833 0.75 PTGDR (0.41) MAPTALDH1A1HPGDKMT2AHSD17B10
SCHEMBL24920815 0.73 CCR1 (0.34)
SCHEMBL24920867 0.72 CNR2 (0.37) MAPTHPGDKMT2A
SCHEMBL24922007 0.71 NOTUM (0.50) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24921161 0.70 MAPT (0.56) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24920838 0.70 CCR1 (0.34)
SCHEMBL4581181 0.69 NOTUM (0.65) NOTUMMAPTALDH1A1HPGDMAPK1

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