SCHEMBL4752207

SCHEMBL4752207

COC(=O)c1sccc1NC(=O)COc1ccc(N)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
MAPK1 P28482 1/20 0.80
MAPT P10636 4/20 0.78
SMN1; SMN2 Q16637 2/20 0.61
MAPK10 P53779 5/20 0.60
MAPK8 P45983 4/20 0.60
MAPK9 P45984 3/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 2/20 0.58
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CASP3 P42574 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 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 0.88 ALDH1A1 (0.80) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL5066789 0.85 ALDH1A1 (0.76) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL4752209 0.84 ALDH1A1 (0.74) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL4751451 0.79 NPSR1 (0.78) ALDH1A1SMN1; SMN2MAPK10MAPK8MAPK9
SCHEMBL5294918 0.77 MAPK8 (0.68) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL7933290 0.76 MAPK8 (0.66) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL28722481 0.76 MAPK8 (0.66) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL4749588 0.76 SMN1; SMN2 (0.67) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL16760967 0.76 MAPK8 (0.66) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10
SCHEMBL3707730 0.75 MAPK10 (1.00) ALDH1A1MAPK1MAPTSMN1; SMN2MAPK10

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