SCHEMBL24920524

SCHEMBL24920524

CN1CCc2cnc(N3CC(N)C3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.37
HSP90AB1 P08238 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL13572986 0.81 LMNA (0.45) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL12142330 0.81 LMNA (0.45) LMNAPOLBMAPTTP53HSP90AB1
Hydrochloric Acid SCHEMBL1367050 0.80 LMNA (0.44) LMNAPOLBMAPTTP53HSP90AB1
Hydrochloric Acid SCHEMBL1543006 0.80 LMNA (0.44) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL24920575 0.80 LMNA (0.39) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL24921798 0.79 HSP90AB1 (0.47) LMNAPOLBMAPTHSP90AB1ALDH1A1
SCHEMBL24920545 0.79 POLB (0.46) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL24920540 0.76 LMNA (0.47) LMNAPOLBMAPTTP53HSP90AB1
SCHEMBL26626951 0.74 CYP2C19 (0.47) POLBHSP90AB1ALDH1A1CYP2C19KDM4E
SCHEMBL17624380 0.74 LMNA (0.39) LMNAPOLBMAPTTP53HSP90AB1

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