SCHEMBL4753007

SCHEMBL4753007

COC(=O)c1sccc1NC(=O)CSc1ccccc1OC

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.77
NPSR1 Q6W5P4 6/20 0.69
TDP1 Q9NUW8 2/20 0.69
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.64
MAPT P10636 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP3A4 P08684 2/20 0.64
GAA P10253 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP2D6 P10635 1/20 0.61
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
MAPK10 P53779 1/20 0.58
NOD2 Q9HC29 1/20 0.58

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
SCHEMBL4752222 0.82 SMN1; SMN2 (0.56) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4751899 0.80 ALDH1A1 (0.80) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4749674 0.78 NPSR1 (0.67) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4752211 0.78 LMNA (0.68) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4751471 0.77 NPSR1 (0.80) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4751903 0.77 ALDH1A1 (0.80) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4751462 0.76 NPSR1 (0.78) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4751451 0.76 NPSR1 (0.78) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4749282 0.76 ALDH1A1 (0.74) LMNANPSR1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4749609 0.74 ALDH1A1 (0.71) LMNANPSR1TDP1ALDH1A1SMN1; 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 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