SCHEMBL7775498

SCHEMBL7775498

N#CP(=O)(O)Oc1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.38
INPPL1 O15357 2/20 0.37
INPP5A Q14642 2/20 0.37
INPP5B P32019 1/20 0.37
LMNA P02545 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PTK2B Q14289 2/20 0.33
MAPT P10636 1/20 0.33
SRC P12931 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ACP3 P15309 1/20 0.32
DYRK1A Q13627 1/20 0.32
AKT1 P31749 1/20 0.31
PSMB8 P28062 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL8330707 0.98 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B
SCHEMBL25222316 0.78 INPPL1 (0.59) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B
SCHEMBL8332872 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B
Lithium Ion SCHEMBL8330001 0.76 SMN1; SMN2 (0.34) SMN1; SMN2KMT2ALMNATAS1R3TAS1R1
SCHEMBL8329919 0.73 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B
SCHEMBL10483778 0.71 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B
SCHEMBL7775497 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNATAS1R3TAS1R1
SCHEMBL15966852 0.71 SRC (0.59) KMT2ASRC
Lithium Ion SCHEMBL8333132 0.68 GPR84 (0.44) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B
SCHEMBL7591865 0.67 INPPL1 (0.50) SMN1; SMN2KMT2AINPPL1INPP5AINPP5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001507707-A 2001-06-12 JP claimed
EP-0948503-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1999-10-13 EP claimed
US-5861525-A Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide MONSANTO COMPANY (US) 1999-01-19 US claimed
WO-1998029424-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1998-07-09 WO claimed
EP-0948503-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1999-10-13 EP disclosed
US-5861525-A Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide MONSANTO COMPANY (US) 1999-01-19 US disclosed
WO-1998029424-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1998-07-09 WO disclosed