SCHEMBL15031312

SCHEMBL15031312

CCN1CCCC(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccc(NC(=N)N)cc4)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
GAA P10253 2/20 0.46
ACSS2 Q9NR19 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NAMPT P43490 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GABRA5 P31644 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL15031310 0.85 DRD3 (0.49) PKMGAAACSS2KMT2AMEN1
SCHEMBL24368198 0.84 RECQL (0.56) KMT2AMEN1KDM4ENAMPTLMNA
SCHEMBL11245499 0.82 PKM (0.54) PKMGAAACSS2GABRA5
SCHEMBL13211820 0.81 NPC1 (0.61) PKMGAAACSS2KMT2AMEN1
SCHEMBL4356333 0.79 PKM (0.58) PKMGAAACSS2GABRA5
SCHEMBL14980511 0.76 KMT2A (0.53) KMT2AMEN1NAMPTL3MBTL1JAK3
SCHEMBL15787157 0.75 GAA (0.44) PKMGAAACSS2KMT2AKDM4E
SCHEMBL15787155 0.75 GAA (0.44) PKMGAAACSS2KMT2AKDM4E
SCHEMBL16219514 0.73 KMT2A (0.50) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL19464792 0.73 HRH3 (0.60) KMT2AMEN1

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-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed