SCHEMBL7937660

SCHEMBL7937660

CCOC(=O)C(=CN(c1ccc(CN2CCOCC2)cc1)C1CCS(=O)(=O)CC1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL7938828 0.92 KDM4E (0.48) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL7938381 0.91 KDM4E (0.47) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL7846654 0.90 KDM4E (0.45) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL7936265 0.88 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL6810321 0.81 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL7844242 0.70 MEN1 (0.40) RAB9ALMNAMAPTMAPK1KMT2A
SCHEMBL6783042 0.69 LMNA (0.40) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL7937657 0.68 ALDH1A1 (0.43) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL17452233 0.67 LIPE (0.60) SMN1; SMN2RAB9ALMNAMAPTTSHR
SCHEMBL10397057 0.67 SMN1; SMN2 (0.80) KDM4ESMN1; SMN2RAB9ALMNAMAPT

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
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed