SCHEMBL24921990

SCHEMBL24921990

COc1cnc(-c2nnco2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 9/20 0.41
SIRT6 Q8N6T7 1/20 0.35
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL24921973 0.76 MAPT (0.42) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24921992 0.76 MAPT (0.42) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24921991 0.75 ALDH1A1 (0.47) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24921610 0.75 NOTUM (0.58) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24920829 0.75 MAPT (0.41) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24921604 0.75 NOTUM (0.50) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24920840 0.75 MAPT (0.45) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24921517 0.72 OXTR (0.36) SIRT6NPC1RAB9AKMT2ATLR8
SCHEMBL24921176 0.71 NOTUM (0.54) MAPTALDH1A1HPGDMAPK1NOTUM
SCHEMBL24921161 0.70 MAPT (0.56) MAPTALDH1A1HPGDMAPK1NOTUM

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