SCHEMBL9598441

SCHEMBL9598441

COCc1cccc(CN2CCCc3cc(CN(O)C(N)=O)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.44
HDAC6 Q9UBN7 11/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9198265 0.89 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9597216 0.87 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9030409 0.86 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9598347 0.85 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9597228 0.85 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9597793 0.85 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9598013 0.85 HDAC1 (0.43) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9536117 0.85 HDAC1 (0.44) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9598020 0.84 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9029836 0.84 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC2

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
US-5256789-A Antiinflammatory hydroxamic acids and N-hydroxyureas PFIZER INC. (US) 1993-10-26 US disclosed