SCHEMBL2912926

SCHEMBL2912926

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2NC(=O)COC)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
KAT2B Q92831 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2908407 0.91 GSK3B (0.34) GSK3AGSK3BMAPTKAT2BNPSR1
SCHEMBL2911941 0.90 HDAC1 (0.34) GSK3AGSK3BMAPTKAT2BKMT2A
SCHEMBL2912527 0.90 GSK3B (0.36) GSK3AGSK3BKAT2BKMT2A
SCHEMBL2907410 0.88 GSK3B (0.34) GSK3AGSK3BMAPTKAT2BMEN1
SCHEMBL2907498 0.87 RAB9A (0.38) GSK3AGSK3BMAPTRAB9AMEN1
SCHEMBL2904881 0.87 RAB9A (0.39) GSK3AGSK3BMAPTRAB9AMEN1
SCHEMBL2904688 0.86 GSK3B (0.34) GSK3AGSK3BKAT2B
SCHEMBL2910651 0.86 MAPT (0.36) MAPTRAB9ASMN1; SMN2
SCHEMBL2912544 0.86 CYP19A1 (0.37) GSK3AGSK3BMAPTMEN1KMT2A
SCHEMBL13455481 0.85 GSK3B (0.37) GSK3AGSK3BKAT2B

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