SCHEMBL7929477

SCHEMBL7929477

CCOC(=O)c1cnc2ccc(N(CC)CCOC(C)=O)cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 4/20 0.40
NMT1 P30419 2/20 0.40
NMT2 O60551 1/20 0.40
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX15 P16050 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
SCHEMBL6199162 0.80 MAPT (0.51) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL6202376 0.79 MAPK1 (0.50) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL9176964 0.77 MAPT (0.60) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL538115 0.77 NMT1 (0.61) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL6200293 0.76 MAPK1 (0.55) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL1467161 0.76 MAPK1 (0.65) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL11066821 0.75 MEN1 (0.51) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL1616605 0.74 MAPK1 (0.53) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL618410 0.74 MAPT (0.62) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL12850078 0.74 MEN1 (0.50) MAPTGAAMEN1KMT2AKDM4E

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