SCHEMBL24920948

SCHEMBL24920948

COC(=O)c1ccnc(Oc2ccc(C(C)(C)c3ccc(OC4CCC4)cc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
P2RX3 P56373 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
PARP10 Q53GL7 1/20 0.36
GRM5 P41594 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACA Q13085 2/20 0.36
ABL1 P00519 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL30212159 0.83 PIK3CD (0.37) ALOX5APFEN1P2RX3
SCHEMBL27234323 0.83 PIK3CD (0.37) ALOX5APFEN1P2RX3
SCHEMBL24922347 0.78 ACACB (0.45) ACACBLMNAMAPTPARP10GRM5
SCHEMBL27233996 0.76 P2RX3 (0.37) ALOX5APFEN1P2RX3LMNARAB9A
SCHEMBL24920648 0.74 ACACB (0.46) ACACBLMNAMAPTPARP10GRM5
SCHEMBL25002923 0.74 FDPS (0.44) LMNAMAPTPARP10GRM5NPC1
SCHEMBL30740799 0.74 RAB9A (0.49) ALOX5APFEN1P2RX3LMNAMAPT
SCHEMBL30212388 0.74 PIK3CD (0.38) ACACBP2RX3
SCHEMBL27234416 0.74 PIK3CD (0.38) ACACBP2RX3
SCHEMBL24512733 0.73 MAPT (0.47) ALOX5APFEN1P2RX3MAPTRAB9A

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