SCHEMBL6959836

SCHEMBL6959836

[CH2]NC(=O)C1=CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.68
HDAC4 P56524 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC1 Q13547 6/20 0.59
HDAC3 O15379 5/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
CTSK P43235 1/20 0.54
CCR2 P41597 1/20 0.45
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL6965356 0.94
SCHEMBL6973301 0.82
SCHEMBL14880140 0.81 HDAC2 (1.00) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL6959845 0.79 HDAC2 (0.68) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL5479808 0.79 HDAC2 (0.96) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL5521547 0.79 HDAC2 (0.68) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL10986673 0.78 HDAC2 (0.66) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL5517039 0.78 HDAC2 (0.66) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL5513200 0.78 HDAC2 (0.66) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL5517044 0.78 HDAC2 (0.66) HDAC2HDAC4HDAC8HDAC6HDAC1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed