SCHEMBL2907828

SCHEMBL2907828

COc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2C(=O)NC[C@@H](C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 5/20 0.34
HCAR2 Q8TDS4 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR7 P34969 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL2912050 1.00 HPGD (0.36) HPGDUSP2MAPTHCAR2POLB
SCHEMBL2911036 0.92 ALDH1A1 (0.34) HPGDMAPTLMNAGSK3AGSK3B
SCHEMBL2911588 0.92 ALDH1A1 (0.34) HPGDMAPTLMNAGSK3AGSK3B
SCHEMBL2906883 0.91 CFTR (0.38) GSK3AGSK3BSMN1; SMN2KMT2AALDH1A1
SCHEMBL2911121 0.91 CFTR (0.38) GSK3AGSK3BSMN1; SMN2KMT2AALDH1A1
SCHEMBL2904632 0.91 LMNA (0.34) MAPTLMNAGSK3AGSK3BSMN1; SMN2
SCHEMBL2908179 0.91 MET (0.34) MAPTHCAR2LMNAGSK3AGSK3B
SCHEMBL2938731 0.91 MET (0.34) MAPTHCAR2LMNAGSK3AGSK3B
SCHEMBL2904193 0.91 SMN1; SMN2 (0.40) HPGDMAPTHCAR2POLBLMNA
SCHEMBL2907242 0.91 LMNA (0.34) MAPTLMNAGSK3AGSK3BSMN1; 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