SCHEMBL24920772

SCHEMBL24920772

COc1nccc(-c2nnco2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.41
PDPK1 O15530 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CCR1 P32246 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
SCHEMBL14031549 0.78 PDPK1 (0.40) MAPTPDPK1CYP1A2CYP3A4CYP2C19
SCHEMBL24921146 0.77 CCR1 (0.59) NOTUMALDH1A1HPGDMAPK1MAPT
SCHEMBL24920893 0.74 PTGDR (0.45) NOTUMALDH1A1PDPK1KMT2APIM1
SCHEMBL24921973 0.73 MAPT (0.42) NOTUMALDH1A1HPGDMAPK1MAPT
SCHEMBL24921176 0.72 NOTUM (0.54) NOTUMALDH1A1HPGDMAPK1MAPT
SCHEMBL24920898 0.72 PDPK1 (0.39) HPGDMAPTPDPK1CYP1A2CYP3A4
SCHEMBL24920787 0.71 ALDH1A1 (0.43) NOTUMALDH1A1HPGDMAPK1MAPT
SCHEMBL14031547 0.71 PTGDR (0.45) NOTUMPDPK1CYP3A4GAA
SCHEMBL24920894 0.71 ACHE (0.40) HPGDMAPTPDPK1CYP2C19HSD17B10
SCHEMBL15921756 0.70 KDM4E (0.53) ALDH1A1HPGDMAPK1MAPTPDPK1

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