SCHEMBL2912944

SCHEMBL2912944

C[C@@H](CO)NC(=O)c1cn(CCCNc2ccc([N+](=O)[O-])cn2)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
MAPT P10636 6/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MAPK8 P45983 1/20 0.36
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
SYK P43405 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2910724 1.00 GSK3B (0.42) GSK3BMAPTLMNAMAPK1ALDH1A1
SCHEMBL2913237 0.88 GSK3B (0.42) GSK3BMAPTLMNAMAPK1ALDH1A1
SCHEMBL2909845 0.88 GSK3B (0.42) GSK3BMAPTLMNAMAPK1ALDH1A1
SCHEMBL2912974 0.86 GSK3B (0.47) GSK3BMAPTLMNAMAPK1ALDH1A1
SCHEMBL2910207 0.85 ALOX5AP (0.40) ALDH1A1KDM4EPOLBAHR
SCHEMBL2911764 0.85 GSK3B (0.46) GSK3BDPP4AHRSYK
SCHEMBL2911030 0.85 GSK3B (0.46) GSK3BDPP4AHRSYK
SCHEMBL2911026 0.85 ALOX5AP (0.40) ALDH1A1KDM4EPOLBAHR
SCHEMBL2910831 0.85 GSK3B (0.48) GSK3BLMNAALDH1A1GAASMN1; SMN2
SCHEMBL2904789 0.85 GSK3B (0.48) GSK3BLMNAALDH1A1GAASMN1; SMN2

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