SCHEMBL9722633

SCHEMBL9722633

CCOC(=O)c1ncoc1-c1cc(Cl)nc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.45
TARBP2 Q15633 5/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KDM5B Q9UGL1 2/20 0.41
GLP1R P43220 1/20 0.40
CDK2 P24941 4/20 0.40
GSK3B P49841 4/20 0.40
GAA P10253 1/20 0.40
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 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
SCHEMBL9585840 0.82 GAA (0.60) FBP1TARBP2NPC1ALDH1A1MAPT
SCHEMBL2778120 0.82 FBP1 (0.46) FBP1TARBP2NPC1ALDH1A1HTT
SCHEMBL9585814 0.82 ALOX5 (0.51) FBP1TARBP2MAPTCDK2GSK3B
SCHEMBL9722656 0.82 FBP1 (0.46) FBP1TARBP2NPC1ALDH1A1TP53
SCHEMBL9587212 0.81 ALOX5 (0.52) FBP1TARBP2ALDH1A1MAPTL3MBTL1
SCHEMBL9722621 0.81 CDK2 (0.45) FBP1TARBP2NPC1ALDH1A1TP53
SCHEMBL30740874 0.79 TSHR (0.47) FBP1NPC1ALDH1A1MAPTMAPK1
SCHEMBL5727790 0.79 FBP1 (0.69) FBP1TARBP2NPC1ALDH1A1TP53
SCHEMBL28550480 0.79 TARBP2 (0.55) FBP1TARBP2NPC1ALDH1A1GSK3B
SCHEMBL28603490 0.79 GSK3B (0.61) MAPTHTTCDK2GSK3B

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
US-5106986-A PREPARATION OF AMINOETHANOL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0450180-A2 Process for the preparation of aminoethanol derivatives BAYER AG (DE) 1991-10-09 EP disclosed