SCHEMBL6203588

SCHEMBL6203588

CCCCOC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3[N+](=O)[O-])s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
SCD O00767 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 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
SCHEMBL5224309 0.84 MET (0.47) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5225836 0.82 HDAC2 (0.60) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28826843 0.75 MAPT (0.57) HRH2HRH1KDM4EKMT2ASMN1; SMN2
SCHEMBL27955986 0.70 MAPT (0.52) HRH2HRH1KDM4EKMT2ASMN1; SMN2
SCHEMBL21059235 0.70 KMT2A (0.61) TP53KMT2AAKR1C3AKR1C2AKR1C1
SCHEMBL5224548 0.70 HDAC2 (0.56) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29742046 0.69 MAPT (0.58) HRH2HRH1KDM4EKMT2ARAB9A
SCHEMBL29742079 0.69 MAPT (0.55) HRH2HRH1KDM4EKMT2ASMN1; SMN2
Acetic Acid SCHEMBL6345904 0.68 HDAC2 (0.52) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20524642 0.68 MAPT (0.44) HRH2HRH1KDM4EKMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 WO disclosed