SCHEMBL23744822

SCHEMBL23744822

CCNc1cn(C)c(-c2nc3ccc(C(C)=O)cc3[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT2 Q8IXJ6 4/20 0.42
SIRT1 Q96EB6 3/20 0.42
SIRT3 Q9NTG7 1/20 0.42
CHEK2 O96017 4/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
NPBWR1 P48145 1/20 0.41
DGAT1 O75907 2/20 0.41
EGFR P00533 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL12582122 0.88 BRD4 (0.45) BRD4HDAC6HDAC3HDAC1HDAC8
SCHEMBL23815542 0.85 BRD4 (0.43) BRD4HDAC6HDAC3HDAC1HDAC8
SCHEMBL23815596 0.85 BRD4 (0.43) BRD4HDAC6HDAC3HDAC1HDAC8
SCHEMBL23745079 0.83 CHEK2 (0.47) BRD4HDAC6HDAC3PKN1PKN2
SCHEMBL26242966 0.81 CHEK2 (0.48) BRD4HDAC6HDAC3PKN1PKN2
SCHEMBL23745062 0.78 RAB9A (0.51) BRD4HDAC6HDAC3PKN1PKN2
SCHEMBL23815696 0.76 HDAC6 (0.39) BRD4HDAC6HDAC3HDAC1HDAC8
SCHEMBL23815771 0.76 HDAC6 (0.39) HDAC6HDAC3HDAC1HDAC8PKN1
SCHEMBL25697848 0.76 HDAC6 (0.39) HDAC6HDAC3HDAC1HDAC8PKN1
SCHEMBL23682632 0.75 HDAC6 (0.42) BRD4HDAC6HDAC3HDAC1HDAC8

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed