SCHEMBL24322211

SCHEMBL24322211

CC(C)c1cc(-c2nnc(C(=O)NCC(F)(F)F)n2-c2ccc(CN3CCC(C(=O)NC4CCN(C)C4)CC3)cc2)c(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
HSP90AA1 P07900 14/20 0.41
HSP90AB1 P08238 3/20 0.40
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACKR3 P25106 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
SCHEMBL24321687 0.88 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4EALOX15TDP1
SCHEMBL500957 0.88 BRD4 (0.44) BRD4HSP90AA1HSP90AB1
SCHEMBL24321262 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EALOX15TDP1
SCHEMBL24322223 0.86 BRD4 (0.43) BRD4HSP90AA1HSP90AB1KDM4ETDP1
SCHEMBL501355 0.86 BRD4 (0.45) BRD4HSP90AA1HSP90AB1
SCHEMBL24321187 0.85 BRD4 (0.44) BRD4HSP90AA1HSP90AB1ACKR3
SCHEMBL24321360 0.83 BRD4 (0.43) BRD4HSP90AA1HSP90AB1KDM4ETDP1
SCHEMBL24322266 0.83 HSP90AA1 (0.43) BRD4HSP90AA1HSP90AB1
SCHEMBL15648822 0.83 BRD4 (0.46) BRD4HSP90AA1HSP90AB1
SCHEMBL501486 0.82 HSP90AA1 (0.50) HSP90AA1HSP90AB1

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-2022078414-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2022-04-21 WO disclosed