SCHEMBL6322896

SCHEMBL6322896

NNc1ncnc2sc3c(c12)CCOC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.68
GAA P10253 5/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
RXFP1 Q9HBX9 2/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MET P08581 1/20 0.47
KDR P35968 1/20 0.47
PTGS2 P35354 1/20 0.44
PRKCI P41743 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL6315989 0.78 LIMK1 (0.69) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL5308267 0.68 LIMK1 (0.58) LIMK1KDM4EALDH1A1MAPTMET
SCHEMBL4691404 0.68 HTT (0.65) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL7084470 0.66 HTT (0.52) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL13641114 0.66 IRAK4 (0.69) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL10237224 0.65 MAPT (0.68) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL19444676 0.65 MAPT (0.73) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL6711629 0.63 SMN1; SMN2 (0.62) LIMK1GAAKDM4EALDH1A1MAPT
SCHEMBL925205 0.62 MKNK1 (0.79) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL14986564 0.62 PRKCI (1.00) PRKCI

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed