SCHEMBL7698367

SCHEMBL7698367

O=C(NCC1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CN1)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 1/20 0.50
SCN4A P35499 2/20 0.42
SCN9A Q15858 2/20 0.42
SCN3A Q9NY46 1/20 0.42
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
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
SCHEMBL7699527 1.00 KDM4E (0.50) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7855442 0.87 KDM4E (0.55) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7701502 0.86 HPGD (0.43) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL7699460 0.85 NPC1 (0.48) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL7694099 0.85 KDM4E (0.49) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7694101 0.85 KDM4E (0.49) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7575384 0.84 POLB (0.36) KDM4EHSD17B10HPGDALDH1A1NPC1
SCHEMBL7700382 0.83 ALDH1A1 (0.37) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL7521793 0.83 PTPN1 (0.53) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL7524247 0.83 PTPN1 (0.53) KDM4EHSD17B10HPGDSCN4ASCN9A

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