SCHEMBL2910255

SCHEMBL2910255

Nc1nc(NCCCn2cc(-c3ccc(Cl)cc3Cl)cc2C(=O)NCc2cccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3B P49841 4/20 0.46
GSK3A P49840 3/20 0.46
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
LMNA P02545 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL2937412 0.92 GSK3B (0.46) POLBHTTSMN1; SMN2GSK3BGSK3A
SCHEMBL2905623 0.92 GSK3B (0.47) POLBHTTSMN1; SMN2GSK3BGSK3A
SCHEMBL2904164 0.88 GSK3B (0.44) POLBHTTSMN1; SMN2GSK3BGSK3A
SCHEMBL2910463 0.88 POLB (0.52) POLBHTTSMN1; SMN2GSK3BGSK3A
SCHEMBL2911865 0.87 GSK3B (0.45) HTTSMN1; SMN2GSK3BGSK3ACDK1
SCHEMBL2904701 0.87 GSK3B (0.46) POLBSMN1; SMN2GSK3BGSK3ACDK1
SCHEMBL2913436 0.86 GSK3B (0.48) HTTSMN1; SMN2GSK3BGSK3ACDK1
SCHEMBL2910272 0.86 GSK3B (0.45) POLBHTTSMN1; SMN2GSK3BGSK3A
SCHEMBL2903991 0.86 POLB (0.56) POLBHTTSMN1; SMN2GSK3BGSK3A
SCHEMBL2909539 0.85 GSK3B (0.44) POLBHTTGSK3BGSK3ACDK1

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