SCHEMBL22685238

SCHEMBL22685238

CNc1ncc(-c2ccc(C3(NC(=O)c4ccc(Cl)cc4)CC3)cc2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ WDR91 A4D1P6 5/20 0.42
▸ BTK Q06187 1/20 0.40
▸ CXCR3 P49682 2/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ F10 P00742 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL22686788 0.89 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685198 0.81 WDR91 (0.53) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685236 0.78 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6BTK
SCHEMBL22685202 0.77 WDR91 (0.40) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22686789 0.77 WDR91 (0.43) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22686791 0.77 WDR91 (0.44) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685253 0.76 PDE2A (0.42) HDAC3HDAC1HDAC2HDAC6BTK
SCHEMBL22685237 0.75 BTK (0.41) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22685249 0.75 WDR91 (0.41) HDAC3HDAC1HDAC2HDAC6WDR91
SCHEMBL22438959 0.70 WDR91 (0.57) HDAC3HDAC1HDAC2HDAC6WDR91

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 — — WO disclosed
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