SCHEMBL7843412

SCHEMBL7843412

COc1cccc(CN2CCc3c(sc(NC4CCCCO4)c3C(=O)O)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.69
PTPN2 P17706 2/20 0.50
ADORA1 P30542 3/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NOD1 Q9Y239 1/20 0.43
MAPT P10636 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
SCHEMBL7853662 0.83 PTPN1 (0.67) PTPN1PTPN2ADORA1KDM4EMEN1
SCHEMBL7847188 0.82 PTPN1 (0.65) PTPN1PTPN2ADORA1KDM4EMEN1
SCHEMBL7859688 0.81 PTPN1 (0.65) PTPN1PTPN2ADORA1KDM4EALDH1A1
SCHEMBL6323368 0.81 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7160346 0.79 PTPN1 (0.67) PTPN1PTPN2ADORA1KDM4ELMNA
SCHEMBL7852313 0.77 PTPN1 (0.68) PTPN1PTPN2ADORA1KDM4EMEN1
SCHEMBL7154838 0.77 PTPN1 (0.48) PTPN1PTPN2KDM4ELMNAALDH1A1
SCHEMBL7170012 0.76 KMT2A (0.49) PTPN1PTPN2LMNAALDH1A1MEN1
SCHEMBL7855098 0.75 PTPN2 (0.58) PTPN1PTPN2ADORA1KDM4EALDH1A1
SCHEMBL7855558 0.73 KMT2A (0.53) PTPN1PTPN2ADORA1KDM4ELMNA

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
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed