SCHEMBL2908225

SCHEMBL2908225

Nc1nc(NCCCn2cc(C(=O)NCCCN3CCOCC3)c(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
KLK7 P49862 1/20 0.51
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 5/20 0.47
GSK3A P49840 4/20 0.47
MAPT P10636 6/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CDK1 P06493 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCNB2 O95067 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL2910737 0.97 CYP2C19 (0.54) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2910685 0.94 GSK3B (0.49) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2910325 0.92 GSK3B (0.53) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2906785 0.91 GSK3B (0.49) LMNAKLK7CYP2C19GSK3BGSK3A
SCHEMBL2909494 0.91 LMNA (0.47) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2913404 0.90 GSK3B (0.48) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2910223 0.89 GSK3B (0.48) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2911606 0.88 GSK3B (0.48) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2909523 0.88 GSK3B (0.48) LMNAKLK7CYP2C19SMN1; SMN2GSK3B
SCHEMBL2912130 0.86 GSK3B (0.48) LMNACYP2C19SMN1; SMN2GSK3BGSK3A

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