SCHEMBL2909796

SCHEMBL2909796

Nc1nc(NCCCn2cc(C(=O)O)c(-c3ccc(OC(F)(F)F)cc3)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.39
GSK3B P49841 4/20 0.33
GSK3A P49840 3/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 1/20 0.33
SERPINE1 P05121 1/20 0.33
DHODH Q02127 2/20 0.32
ACP1 P24666 1/20 0.32
AXL P30530 1/20 0.32
TXNRD1 Q16881 1/20 0.32
CDK1 P06493 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KDR P35968 2/20 0.31
AURKB Q96GD4 1/20 0.31
FOLH1 Q04609 1/20 0.31

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
SCHEMBL2904037 0.91 GSK3B (0.34) EIF4EGSK3BGSK3AMEN1MITF
SCHEMBL2911406 0.89 EIF4E (0.37) EIF4EGSK3BGSK3AMEN1KMT2A
SCHEMBL2912610 0.89 MAPT (0.38) EIF4EGSK3BGSK3ASMN1; SMN2ALDH1A1
SCHEMBL2911792 0.88 GSK3B (0.36) EIF4EGSK3BGSK3ACDK1FOLH1
SCHEMBL2911914 0.88 AHR (0.37) EIF4EGSK3BGSK3AMEN1MITF
SCHEMBL2913577 0.88 AHR (0.37) EIF4EGSK3BGSK3AMEN1MITF
SCHEMBL2906883 0.87 CFTR (0.38) EIF4EGSK3BGSK3AMEN1MITF
SCHEMBL2911121 0.87 CFTR (0.38) EIF4EGSK3BGSK3AMEN1MITF
SCHEMBL2904612 0.87 GSK3B (0.36) GSK3BGSK3AKMT2ASMN1; SMN2CDK1
SCHEMBL2907084 0.87 GSK3B (0.37) EIF4EGSK3BGSK3AAXLCDK1

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-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed