SCHEMBL7096724

SCHEMBL7096724

O=C(NCC1NCCc2c1sc(NC1CCCCO1)c2C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 1/20 0.50
SCN4A P35499 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CCKBR P32239 1/20 0.36
PLD2 O14939 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL7096725 1.00 PTPN1 (0.58) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5797581 0.91 PTPN1 (0.60) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5797661 0.86 PTPN1 (0.45) PTPN1RAB9A
SCHEMBL7091991 0.83 PTPN1 (0.42) PTPN1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL5767679 0.83 PTPN1 (0.81) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5769149 0.83 PTPN1 (0.81) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL5810837 0.82 RAB9A (0.51) PTPN1HPGDALDH1A1NPC1RAB9A
SCHEMBL5810842 0.82 RAB9A (0.51) PTPN1HPGDALDH1A1NPC1RAB9A
SCHEMBL7698367 0.82 KDM4E (0.50) PTPN1KDM4EHSD17B10HPGDSCN4A
SCHEMBL7699527 0.82 KDM4E (0.50) PTPN1KDM4EHSD17B10HPGDSCN4A

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
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed