SCHEMBL8226063

SCHEMBL8226063

NC(=O)C(=O)Nc1sc(CNC(=O)OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
TGM2 P21980 1/20 0.39

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
SCHEMBL6320149 0.91 SMN1; SMN2 (0.43) PLAUHDAC1HDAC2HDAC3LMNA
SCHEMBL7686880 0.87 KMT2A (0.41) PLAUSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL6318265 0.79 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL7687225 0.75 ALDH1A1 (0.42) PLAULMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6310340 0.75 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL6316825 0.75 HSD17B10 (0.48) LMNASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL6031270 0.72 HSD17B10 (0.49) SMN1; SMN2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL7516389 0.72 ALDH1A1 (0.40) HDAC1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6313108 0.72 MEN1 (0.38) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL7525566 0.70 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1MEN1NPC1

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-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed