SCHEMBL8556258

SCHEMBL8556258

NC(=O)CC1=CNc2ccccc2C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN4A P35499 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
P2RX4 Q99571 2/20 0.31
RAB9A P51151 1/20 0.31
CA2 P00918 1/20 0.31
PTBP1 P26599 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL27383896 0.78 GAA (0.45) MAPTGAAMAPK1
Water SCHEMBL8509088 0.76 MAPT (0.43) MAPTGAAMAPK1SMN1; SMN2RAB9A
SCHEMBL3997603 0.75 MAPT (0.42) MAPTGAALMNATSHRMAPK1
SCHEMBL11719213 0.74 GAA (0.45) MAPTGAASMN1; SMN2P2RX4PTBP1
Hydrochloric Acid SCHEMBL15414088 0.74 MAPT (0.31) MAPTGAASMN1; SMN2P2RX4RAB9A
SCHEMBL4792080 0.73 MAPT (0.41) MAPTGAALMNATSHRMAPK1
SCHEMBL27514741 0.72 EGFR (0.32) EGFRSRCKDM4EALDH1A1
SCHEMBL11161194 0.71 GAA (0.42) MAPTGAA
SCHEMBL8197993 0.70 MAPT (0.37) MAPTGAALMNATSHRMAPK1
SCHEMBL2723647 0.69 MAPT (0.43) MAPTGAALMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862562-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP claimed
WO-1997010224-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 WO claimed
EP-0862562-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
WO-1997010224-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 WO disclosed