SCHEMBL16348552

SCHEMBL16348552

CNC(=O)c1cc(C=O)cc(C(=O)NC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC2 Q92769 1/20 0.43
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAF1 P04049 2/20 0.40
PLK1 P53350 4/20 0.39
UNG P13051 1/20 0.39
BRD4 O60885 1/20 0.39
PLAU P00749 1/20 0.38
CA2 P00918 1/20 0.37
MMP13 P45452 1/20 0.36

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
SCHEMBL29955607 0.88 CA12 (0.42) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL3934286 0.88 MMP13 (0.40) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL3930464 0.84 PLK1 (0.51) HPGDSMN1; SMN2ALDH1A1PLK1
SCHEMBL4478521 0.83 HDAC8 (0.60) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL62779 0.80 UNG (0.61) HDAC8HDAC6HDAC2ALDH1A1RAF1
SCHEMBL29957694 0.80 UNG (0.61) HDAC8HDAC6HDAC2ALDH1A1RAF1
SCHEMBL13850338 0.79 RAF1 (0.58) HDAC8HDAC6HDAC2ALDH1A1RAF1
SCHEMBL944150 0.78 HDAC2 (0.59) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL29956091 0.78 EPHX2 (0.40) HPGDTSHRHTTSMN1; SMN2RAF1
SCHEMBL15652991 0.77 RAB9A (0.53) HDAC6SMN1; SMN2ALDH1A1MMP13

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-7306898-B2 Planographic printing method and planographic printing plate precursor used therein FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed