SCHEMBL4752209

SCHEMBL4752209

COC(=O)c1sccc1NC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
MAPK1 P28482 1/20 0.74
MAPT P10636 6/20 0.73
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
MAPK10 P53779 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL4753018 0.84 ALDH1A1 (0.80) ALDH1A1MAPK1MAPTSMN1; SMN2HTT
SCHEMBL4752207 0.84 ALDH1A1 (0.80) ALDH1A1MAPK1MAPTSMN1; SMN2HTT
SCHEMBL5066789 0.82 ALDH1A1 (0.76) ALDH1A1MAPK1MAPTSMN1; SMN2HTT
SCHEMBL4749266 0.81 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7377084 0.79 ALDH1A1 (0.71) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL5294918 0.74 MAPK8 (0.68) ALDH1A1MAPK1MAPTSMN1; SMN2HTT
SCHEMBL7778609 0.74 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2POLBKMT2A
SCHEMBL4296967 0.74 MAPT (0.82) ALDH1A1MAPK1MAPTSMN1; SMN2POLB
SCHEMBL7933290 0.73 MAPK8 (0.66) ALDH1A1MAPK1MAPTSMN1; SMN2HTT
SCHEMBL4749588 0.73 SMN1; SMN2 (0.67) ALDH1A1MAPK1MAPTSMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed