SCHEMBL27370587

SCHEMBL27370587

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
EPHX2 P34913 1/20 0.48
DDB1 Q16531 2/20 0.48
CRBN Q96SW2 2/20 0.48
NAMPT P43490 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
PDE4B Q07343 1/20 0.44
HTT P42858 1/20 0.43
NR1H2 P55055 3/20 0.43
RXRA P19793 2/20 0.43
NR1H3 Q13133 2/20 0.43
IP6K1 Q92551 3/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL30273494 0.97 KDM4E (0.50) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL25036594 0.97 KDM4E (0.50) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL29967371 0.95 EPHX2 (0.50) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL23411616 0.95 EPHX2 (0.50) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL27370739 0.94 EPHX2 (0.52) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL30847566 0.93 DDB1 (0.48) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL27371415 0.93 DDB1 (0.48) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL27371417 0.93 KDM4E (0.47) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL27371365 0.92 KDM4E (0.46) KDM4EMAPTTHRBEPHX2DDB1
SCHEMBL27370632 0.92 EPHX2 (0.61) KDM4EMAPTTHRBEPHX2DDB1

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