SCHEMBL30847503

SCHEMBL30847503

CC(C)C1(C)C(=O)Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
DDB1 Q16531 2/20 0.46
CRBN Q96SW2 2/20 0.46
NAMPT P43490 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
PDE4B Q07343 1/20 0.43
CNR1 P21554 1/20 0.41
IGF1R P08069 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL30847508 0.92 MAPT (0.47) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL30847579 0.89 KDM4E (0.52) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL25036594 0.85 KDM4E (0.50) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL30273494 0.85 KDM4E (0.50) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL30847462 0.84 KDM4E (0.47) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL30847534 0.84 KDM4E (0.47) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL27370587 0.84 KDM4E (0.49) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL23411616 0.83 EPHX2 (0.50) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL29967371 0.83 EPHX2 (0.50) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL27371365 0.82 KDM4E (0.46) MAPTKDM4ETHRBDDB1CRBN

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-2024064316-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 INHIBITORS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed