SCHEMBL4749247

SCHEMBL4749247

O=C(O)c1sccc1NC(=O)C(Sc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4751445 0.89 L3MBTL1 (0.58) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL4749283 0.81 MAPT (0.45) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL4749651 0.76 KDM4E (0.54) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL4783860 0.75 MAPT (0.48) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL934157 0.72 TSHR (0.54) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL4738274 0.72 MAPT (0.45) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL11564640 0.72 LMNA (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4749265 0.72 ALDH1A1 (0.58) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL4743665 0.70 KMT2A (0.73) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL4735942 0.70 HTT (0.52) MAPTTDP1LMNAALDH1A1NPSR1

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