SCHEMBL7853285

SCHEMBL7853285

CCOC(=O)c1cnc(NCCc2ccccn2)nc1-c1ccc(F)cc1.CCOC(=O)c1cnc(NCCc2ccccn2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
NAMPT P43490 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK8 P45983 1/20 0.39
RAB9A P51151 2/20 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
SCHEMBL5091586 0.95 FOS (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL5089195 0.89 ALDH1A1 (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL7146465 0.88 PDE4A (0.41) FOSJUNNFKB1NFKB2RELA
SCHEMBL5092765 0.84 FOS (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL27570893 0.83 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL5093430 0.80 RAB9A (0.49) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL5098932 0.79 FOS (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL5089111 0.78 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL5089344 0.78 MAPT (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL5099951 0.77 MAPT (0.47) FOSJUNNFKB1NFKB2RELA

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-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed