SCHEMBL15031310

SCHEMBL15031310

CCN1CCCC(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)C4CCCN(CC)C4)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.49
PKM P14618 1/20 0.47
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.45
ACSS2 Q9NR19 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 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
SCHEMBL15031312 0.85 PKM (0.47) PKMGAAKMT2AACSS2MEN1
SCHEMBL13211820 0.81 NPC1 (0.61) PKMCCR2GAAKMT2AACSS2
SCHEMBL11245499 0.79 PKM (0.54) PKMGAAACSS2
SCHEMBL21169293 0.79 DRD3 (0.61) DRD3GAAKMT2AMEN1POLB
SCHEMBL4356333 0.79 PKM (0.58) PKMCCR2GAAACSS2
SCHEMBL28956652 0.74 PTPN1 (0.64) KMT2AMEN1KDM4ERXFP1RAB9A
SCHEMBL123085 0.74 PTPN1 (0.64) KMT2AMEN1KDM4ERXFP1RAB9A
SCHEMBL10282567 0.72 DRD4 (0.67) CCR2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL21652000 0.71 CARM1 (0.64) DRD3PKMGAAKMT2AMEN1
SCHEMBL10123862 0.70 TSHR (0.58) 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