SCHEMBL24321328

SCHEMBL24321328

CC(C)c1cc(-c2nnc(O)n2-c2ccc(CN3CCC(C(=O)N4CCCC4)CC3)cc2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSP90AA1 P07900 3/20 0.41
▸ ACKR3 P25106 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSP90B1 P14625 1/20 0.39
▸ TRAP1 Q12931 1/20 0.39
▸ AKT1 P31749 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
SCHEMBL24321350 0.89 MEN1 (0.47) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL24321184 0.88 HSP90AA1 (0.46) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL24321134 0.82 HSP90AA1 (0.47) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL16569200 0.82 KDM4E (0.42) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL18561685 0.82 HSP90AA1 (0.40) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL24321700 0.80 HSP90AA1 (0.44) KDM4EALDH1A1TDP1HSP90AA1HSP90B1
SCHEMBL24321302 0.79 HSP90AA1 (0.42) HSP90AA1MAPK1HSP90B1TRAP1
SCHEMBL22541300 0.79 HSP90AA1 (0.40) KDM4EALDH1A1TDP1HSP90AA1HSP90B1
SCHEMBL24321211 0.78 ALDH1A1 (0.42) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL16569651 0.78 HSP90AA1 (0.44) MEN1KMT2AHSP90AA1HSP90B1TRAP1

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
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