SCHEMBL7702006

SCHEMBL7702006

O=C(NC[C@@H]1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CN1Cc1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 1/20 0.46
SCN4A P35499 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CCKBR P32239 1/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PLD2 O14939 1/20 0.35
MEN1 O00255 1/20 0.34
CYP51A1 Q16850 1/20 0.34

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
SCHEMBL7699895 0.94 KMT2A (0.42) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7694099 0.90 KDM4E (0.49) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7694101 0.90 KDM4E (0.49) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7702706 0.87 KDM4E (0.41) KDM4EHSD17B10HPGDALDH1A1DRD2
SCHEMBL7695155 0.86 BCHE (0.43) SLC6A2SLC6A4CCKBRKMT2ANPC1
SCHEMBL7516404 0.85 PTPN1 (0.49) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7855442 0.83 KDM4E (0.55) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7699527 0.83 KDM4E (0.50) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7698367 0.83 KDM4E (0.50) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7526850 0.79 PTPN1 (0.46) KDM4EDRD2DRD3KMT2ANPC1

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-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO disclosed