SCHEMBL7021149

SCHEMBL7021149

NC(=O)c1ccccc1NC(=O)CCCCC1CC(c2ccccc2)=CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
HTR1A P08908 3/20 0.41
HTR7 P34969 3/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SOAT1 P35610 2/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL7014444 0.97 PDCD1 (0.42) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7018049 0.86 KMT2A (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6584766 0.84 NPC1 (0.50) HDAC1HDAC2HDAC8HTR1AHTR7
SCHEMBL6648237 0.74 LMNA (0.41) LMNA
SCHEMBL9581752 0.73 TDP1 (0.34) HTR1AKMT2AALDH1A1MAPT
SCHEMBL9581771 0.73 IKBKB (0.42) HTR1A
SCHEMBL6582578 0.72 SIRT2 (0.43) PDCD1CD274ALDH1A1LMNAHPGD
SCHEMBL6368137 0.72 LMNA (0.39) LMNA
SCHEMBL6796639 0.72 HTR7 (0.55) HTR1AHTR7MEN1KMT2AALDH1A1
SCHEMBL9581988 0.71 MCL1 (0.49) HTR1AHTR7ALDH1A1

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-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 WO disclosed