SCHEMBL19086277

SCHEMBL19086277

Nc1cccc(-c2cn(CCCCN3C(=O)c4ccccc4C3=O)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.52
UCHL5 Q9Y5K5 1/20 0.50
NAMPT P43490 2/20 0.48
HDAC3 O15379 10/20 0.47
HDAC4 P56524 10/20 0.47
HDAC1 Q13547 10/20 0.47
HDAC7 Q8WUI4 10/20 0.47
HDAC2 Q92769 10/20 0.47
HDAC10 Q969S8 10/20 0.47
HDAC11 Q96DB2 10/20 0.47
HDAC8 Q9BY41 10/20 0.47
HDAC6 Q9UBN7 10/20 0.47
HDAC9 Q9UKV0 10/20 0.47
HDAC5 Q9UQL6 10/20 0.47
TEK Q02763 2/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6038205 0.85 NAMPT (0.60) HSP90AB1NAMPTHDAC3HDAC4HDAC1
SCHEMBL16068261 0.82 KEAP1 (0.53) HSP90AB1NAMPTMEN1KMT2A
SCHEMBL16068165 0.81 TEK (0.53) UCHL5NAMPTHDAC3HDAC4HDAC1
SCHEMBL460447 0.79 TEK (0.55) UCHL5NAMPTHDAC3HDAC4HDAC1
SCHEMBL16155169 0.76 HDAC3 (0.54) UCHL5NAMPTHDAC3HDAC4HDAC1
SCHEMBL14987759 0.76 TEK (0.55) UCHL5HDAC3HDAC4HDAC1HDAC7
SCHEMBL16155361 0.75 HDAC3 (0.56) UCHL5NAMPTHDAC3HDAC4HDAC1
SCHEMBL16155356 0.74 HDAC3 (0.53) UCHL5NAMPTHDAC3HDAC4HDAC1
SCHEMBL30722374 0.73 TEK (0.57) UCHL5TEKKDRMEN1KMT2A
SCHEMBL16264699 0.73 TEK (0.57) UCHL5TEKKDRMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017118690-A1 A NOVEL SYNTHETIC PATHWAY TOWARDS SOLITHROMYCIN AND PURIFICATION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2017-07-13 WO disclosed
EP-3190122-A1 A NOVEL SYNTHETIC PATHWAY TOWARDS SOLITHROMYCIN AND PURIFICATION THEREOF LEK Pharmaceuticals d.d. (SI) 2017-07-12 EP disclosed