SCHEMBL22541300

SCHEMBL22541300

CCNCC1CCN(C(=O)C2CCN(Cc3ccc(-n4c(O)nnc4-c4cc(C(C)C)c(O)cc4O)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 14/20 0.40
▸ HSP90AB1 P08238 5/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ BRD4 O60885 3/20 0.40
▸ HSP90B1 P14625 2/20 0.40
▸ TRAP1 Q12931 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL22541290 0.90 BRD4 (0.41) HSP90AA1HSP90AB1BRD4KDM4EALDH1A1
SCHEMBL16569200 0.89 KDM4E (0.42) HSP90AA1HSP90AB1KDM4EALDH1A1TDP1
SCHEMBL24321350 0.89 MEN1 (0.47) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL22548219 0.89 CCR2 (0.40) HSP90AA1HSP90AB1PDK1BRD4HSP90B1
SCHEMBL24321700 0.88 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1TRAP1KDM4E
SCHEMBL18561685 0.88 HSP90AA1 (0.40) HSP90AA1HSP90AB1PDK1BRD4HSP90B1
SCHEMBL24321184 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL24321134 0.87 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1KDM4EALDH1A1
SCHEMBL22548269 0.86 CCR3 (0.39) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL22541280 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1PDK1BRD4HSP90B1

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-2020207395-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO., LTD. (CN) 2020-10-15 — — WO disclosed
Send feedback