SCHEMBL1706867

SCHEMBL1706867

COC(=O)/C=C/c1cnc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FDPS P14324 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TTR P02766 1/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL27677687 1.00 KMT2A (0.44) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL30288849 0.83 XPO1 (0.37) KMT2ASMN1; SMN2CYP2C9CYP2C19SIRT6
SCHEMBL1707589 0.83 CA12 (0.45) KDM4ECA12CA1CA2CA7
SCHEMBL15278589 0.83 XPO1 (0.37) KMT2ASMN1; SMN2CYP2C9CYP2C19SIRT6
SCHEMBL20411828 0.81 KMT2A (0.45) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL3310811 0.80 NFE2L2 (0.47) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL3223472 0.79 SIRT6 (0.46) KDM4ESMN1; SMN2CA12CA1CA2
SCHEMBL3223457 0.79 SIRT6 (0.46) KDM4ESMN1; SMN2CA12CA1CA2
SCHEMBL3772961 0.75 CA12 (0.56) KMT2AMEN1KDM4ESMN1; SMN2CA12
SCHEMBL3772958 0.75 CA12 (0.56) KMT2AMEN1KDM4ESMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed
CN-101001851-B Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC 2011-04-20 CN disclosed
CN-101583599-A N-hydroxyacrylamide compounds ASTELLAS PHARMA INC (JP) 2009-11-18 CN disclosed
CN-101379059-A N-hydroxyacrylamide compounds ASTELLAS PHARMA INC (JP) 2009-03-04 CN disclosed
CN-101001851-A Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC (JP) 2007-07-18 CN disclosed