SCHEMBL4753018

SCHEMBL4753018

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 0.70
LMNA P02545 2/20 0.70
HPGD P15428 2/20 0.70
CASP3 P42574 1/20 0.70
KMT2A Q03164 1/20 0.70
ATM Q13315 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
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
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL4752207 0.88 ALDH1A1 (0.80) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL5066789 0.85 ALDH1A1 (0.76) ALDH1A1MAPK1MAPTSMN1; SMN2L3MBTL1
SCHEMBL4752209 0.84 ALDH1A1 (0.74) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL5301897 0.81 NPC1 (0.56) ALDH1A1MAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL5301746 0.80 KMT2A (0.77) ALDH1A1SMN1; SMN2LMNAHPGDCASP3
SCHEMBL4751454 0.80 MAPK1 (0.51) ALDH1A1MAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL4751462 0.79 NPSR1 (0.78) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL4749588 0.78 SMN1; SMN2 (0.67) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL4751448 0.77 KMT2A (0.65) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL5294918 0.77 MAPK8 (0.68) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA

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