SCHEMBL23909401

SCHEMBL23909401

O=C(O)CCCOP(O)(=S)Oc1nc(Cl)c(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR4 Q5NUL3 6/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
RAB9A P51151 1/20 0.33
FFAR1 O14842 2/20 0.32
LTB4R Q15722 2/20 0.32
SCN5A Q14524 2/20 0.31
CYP2C9 P11712 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
SCHEMBL21820793 0.83 TDP1 (0.70) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL9242177 0.80 PTGDR2 (0.43) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL28328185 0.77 TDP1 (0.73) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL21820773 0.76 TDP1 (0.46) TDP1CYP3A4TSHRALDH1A1MAPT
Chlorpyrifos SCHEMBL28307061 0.75 TDP1 (0.69) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL23909385 0.74 TDP1 (0.47) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL13196459 0.73 TDP1 (0.52) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL21820799 0.71 TDP1 (0.56) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL634976 0.71 TDP1 (0.64) TDP1CYP3A4TSHRALDH1A1MAPT
SCHEMBL23909395 0.68 TDP1 (0.40) TDP1CYP3A4TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 US disclosed