SCHEMBL5044747

SCHEMBL5044747

CCCCCCCCCCCCNC(=O)c1cccc(CN(O)Cc2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
KMT2A Q03164 3/20 0.52
NAAA Q02083 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTAFR P25105 7/20 0.49
EPHX2 P34913 1/20 0.49
FAAH O00519 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL5045529 0.89 TRPV1 (0.60) HDAC6NAAASMN1; SMN2TRPV1PTAFR
SCHEMBL5041082 0.89 NAAA (0.60) KMT2ANAAASMN1; SMN2
SCHEMBL1855256 0.88 EPHX2 (0.51) HDAC2HDAC8HDAC6KMT2ANAAA
SCHEMBL27619602 0.85 TRPV1 (0.57) HDAC2HDAC8HDAC6KMT2ANAAA
SCHEMBL5039921 0.84 SMN1; SMN2 (0.56) HDAC8NAAASMN1; SMN2NPC1RAB9A
SCHEMBL5040331 0.84 SMN1; SMN2 (0.54) HDAC8NAAASMN1; SMN2
SCHEMBL5039987 0.83 NAAA (0.51) HDAC6KMT2ANAAASMN1; SMN2MEN1
SCHEMBL5044578 0.82 SMN1; SMN2 (0.48) KMT2ANAAASMN1; SMN2NPC1RAB9A
SCHEMBL5044129 0.82 MRGPRX4 (0.47) HDAC2NAAASMN1; SMN2
SCHEMBL5044104 0.82 SMN1; SMN2 (0.52) HDAC8NAAASMN1; SMN2GAA

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed