SCHEMBL4746331

SCHEMBL4746331

Nc1cccc(NC(=O)CCC2CCNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ROCK2 O75116 2/20 0.53
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4750144 0.85 LDLR (0.47) HDAC3HDAC1HDAC2ROCK2KMT2A
SCHEMBL9335546 0.78 KMT2A (0.53) HDAC3HDAC1HDAC2ROCK2KMT2A
SCHEMBL6508976 0.77 KMT2A (0.67) ROCK2KMT2AALDH1A1MEN1CYP1A2
SCHEMBL10198173 0.76 ROCK2 (0.61) ROCK2KMT2AALDH1A1MEN1CYP1A2
SCHEMBL13363465 0.74 HDAC1 (0.91) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11597168 0.73 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11418046 0.73 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL629093 0.73 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7935572 0.73 DDX3X (0.65) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29850847 0.72 EPHX2 (0.63) KMT2ASMN1; SMN2NPC1

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed