SCHEMBL2909494

SCHEMBL2909494

Nc1nc(NCCCn2cc(C(=O)NCC(O)CN3CCOCC3)c(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
CYP2C19 P33261 1/20 0.45
GSK3B P49841 5/20 0.44
GSK3A P49840 4/20 0.44
KLK7 P49862 1/20 0.42
NPC1 O15118 1/20 0.41
CDK1 P06493 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2907251 0.94 GSK3B (0.46) LMNACYP2C19GSK3BGSK3AKLK7
SCHEMBL2910737 0.91 CYP2C19 (0.54) LMNACYP2C19GSK3BGSK3AKLK7
SCHEMBL2908225 0.91 LMNA (0.57) LMNACYP2C19GSK3BGSK3AKLK7
SCHEMBL2912195 0.86 GSK3B (0.48) LMNACYP2C19GSK3BGSK3ANPC1
SCHEMBL2909835 0.86 GSK3B (0.48) LMNACYP2C19GSK3BGSK3ANPC1
SCHEMBL2910685 0.84 GSK3B (0.49) LMNACYP2C19GSK3BGSK3AKLK7
SCHEMBL2904498 0.84 GSK3B (0.47) LMNACYP2C19GSK3BGSK3ANPC1
SCHEMBL2906785 0.84 GSK3B (0.49) LMNACYP2C19GSK3BGSK3AKLK7
SCHEMBL2934514 0.84 GSK3B (0.47) LMNACYP2C19GSK3BGSK3ANPC1
SCHEMBL2913404 0.84 GSK3B (0.48) LMNACYP2C19GSK3BGSK3AKLK7

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