SCHEMBL23909395

SCHEMBL23909395

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
FABP4 P15090 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 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
SCHEMBL23909385 0.83 TDP1 (0.47) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL21820773 0.82 TDP1 (0.46) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL21820799 0.77 TDP1 (0.56) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL990015 0.73 TDP1 (0.51) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL13196459 0.69 TDP1 (0.52) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL16506502 0.69 TDP1 (0.54) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL9242177 0.69 PTGDR2 (0.43) TDP1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL23909401 0.68 TDP1 (0.48) TDP1ALDH1A1CYP3A4MAPTALOX15
Triclopyr SCHEMBL29007141 0.68 KDM4E (0.41) TDP1ALDH1A1CYP3A4MAPTALOX15
Triclopyr SCHEMBL149659 0.67 TDP1 (0.45) TDP1ALDH1A1CYP3A4MAPTALOX15

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
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 US disclosed
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