SCHEMBL7873434

SCHEMBL7873434

CC(C)([CH]C(=O)Nc1cnccc1N)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 7/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC3 O15379 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7024674 0.77 KDM4E (0.51) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL9017891 0.76 HDAC1 (0.49) KDM4EALDH1A1GLAGAAHDAC1
SCHEMBL7868094 0.75 TP53 (0.57) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14357917 0.75 HDAC1 (0.46) KDM4EALDH1A1GLAGAAHDAC1
SCHEMBL7879166 0.74 RAB9A (0.50) KDM4EGAAMAPTTHRBKMT2A
SCHEMBL28390904 0.74 NAMPT (0.47) KDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL5749683 0.73 HDAC1 (0.45) KDM4EALDH1A1GLAGAAHDAC1
Hydrochloric Acid SCHEMBL29373586 0.73 HDAC1 (0.45) KDM4EALDH1A1GLAGAAHDAC1
SCHEMBL7873436 0.72 CIT (0.42) KDM4EALDH1A1GLAGAAHDAC1
SCHEMBL15432248 0.72 KDM4E (0.51) KDM4EALDH1A1GLAGAAHDAC1

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed