SCHEMBL5557434

SCHEMBL5557434

CN(CCCCCC(N)=O)C(=O)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
CDK2 P24941 1/20 0.48
FLT4 P35916 1/20 0.48
NOTUM Q6P988 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8277953 0.80 HDAC3 (0.78) LMNAPOLBHDAC6HDAC3HDAC4
SCHEMBL28253513 0.78 HDAC3 (0.76) LMNAPOLBHDAC6HDAC3HDAC4
SCHEMBL15061601 0.78 LMNA (0.54) LMNAPOLBCDK2FLT4NOTUM
SCHEMBL5557501 0.75 FLT4 (0.55) LMNACDK2FLT4
SCHEMBL9599053 0.75 RAB9A (0.59) LMNANOTUMNPC1RAB9APKM
SCHEMBL28030360 0.74 SMN1; SMN2 (0.67) LMNAPOLBHDAC6HDAC3HDAC4
SCHEMBL15480449 0.73 HDAC3 (0.88) LMNAPOLBHDAC6HDAC3HDAC4
SCHEMBL13477810 0.72 LMNA (0.81) LMNAPOLBHDAC6HDAC3HDAC4
SCHEMBL16596336 0.70 LMNA (1.00) LMNAPOLBHDAC6HDAC3HDAC4
SCHEMBL823590 0.70 HDAC3 (0.76) LMNAPOLBHDAC6HDAC3HDAC4

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-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP claimed