SCHEMBL9595206

SCHEMBL9595206

C=CC(=O)NCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.58
HDAC1 Q13547 7/20 0.58
HDAC2 Q92769 7/20 0.58
HDAC4 P56524 6/20 0.58
HDAC7 Q8WUI4 6/20 0.58
HDAC10 Q969S8 6/20 0.58
HDAC11 Q96DB2 6/20 0.58
HDAC8 Q9BY41 6/20 0.58
HDAC6 Q9UBN7 6/20 0.58
HDAC9 Q9UKV0 6/20 0.58
HDAC5 Q9UQL6 6/20 0.58
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
EGFR P00533 1/20 0.55
CYP3A4 P08684 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL19888923 0.81 LMNA (0.59) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3416759 0.81 KMT2A (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL662029 0.80 DEGS1 (0.65) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL9595517 0.80 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1193527 0.80 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL6292910 0.80 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1193424 0.79 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10185008 0.79 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1193354 0.78 NR1H4 (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7866111 0.78 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC4HDAC7

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-0227173-B1 NEW METHOD FOR THE DETECTION OF SPECIFIC BINDING AGENTS AND THEIR CORRESPONDING BINDABLE SUBSTANCES JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
EP-0227173-A2 New method for the detection of specific binding agents and their corresponding bindable substances JANSSEN PHARMACEUTICA N.V. (BE) 1987-07-01 EP disclosed