SCHEMBL22685246

SCHEMBL22685246

Nc1cc(Cl)cnc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 5/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CXCR3 P49682 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ F10 P00742 2/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ DEGS1 O15121 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAP4K4 O95819 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

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
SCHEMBL22685263 0.90 HDAC3 (0.44) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22657408 0.88 MALT1 (0.45) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685183 0.88 MALT1 (0.44) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685339 0.88 WDR91 (0.41) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685203 0.87 PDE2A (0.47) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL22685181 0.87 IDO1 (0.41) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685345 0.85 PDE2A (0.44) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22686817 0.84 PDE2A (0.46) WDR91HDAC3HDAC1HDAC2HDAC6
SCHEMBL22684761 0.82 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL22686808 0.82 PDE2A (0.46) WDR91AKT1F10MALT1

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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