SCHEMBL6560706

SCHEMBL6560706

Nc1ccc(COCCO)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
CASP1 P29466 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
MAP2K1 Q02750 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL12982772 0.82 IDO1 (0.41) APPGAAMAPTHTTTSHR
SCHEMBL2129800 0.81 MAPT (0.51) GAAMAPTHTTCASP1MEN1
SCHEMBL8034678 0.80 PRKCI (0.47) APPCASP1MEN1KMT2AKDM4E
SCHEMBL2131701 0.79 ALDH1A1 (0.45) GAAMAPTHTTCASP1MEN1
Hydrochloric Acid SCHEMBL9757869 0.79 ACHE (0.49) APPCASP1MEN1KMT2AKDM4E
Water SCHEMBL9445096 0.79 PRKCI (0.46) APPCASP1MEN1KMT2AKDM4E
SCHEMBL16389768 0.77 TSHR (0.45) GAAMAPTHTTCASP1MEN1
SCHEMBL2135557 0.77 ALDH1A1 (0.42) GAAMAPTHTTCASP1MEN1
SCHEMBL16390179 0.76 TSHR (0.47) GAAMAPTHTTCASP1MEN1
SCHEMBL19678694 0.75 ALDH1A1 (0.46) APPGAAMAPTCASP1MEN1

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
EP-1137391-B1 METHOD FOR TREATING HAIR NOVOZYMES AS (DK) 2004-11-03 EP disclosed