SCHEMBL8551425

SCHEMBL8551425

Cn1nc(Cl)n(-c2cc(C(=O)O)c(Cl)cc2F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.40
NOTUM Q6P988 5/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
CTSB P07858 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
EPHX2 P34913 1/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL8555144 0.83 MAPT (0.36) BRD9ALDH1A1L3MBTL1POLBLMNA
SCHEMBL29938165 0.82 NOTUM (0.38) NOTUMKEAP1NFE2L2TDP1MYC
SCHEMBL24151268 0.82 NOTUM (0.38) NOTUMKEAP1NFE2L2TDP1MYC
SCHEMBL4067527 0.78 NOTUM (0.36) NOTUMKEAP1NFE2L2TDP1MYC
SCHEMBL9350427 0.76 NOTUM (0.40) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL9706662 0.76 NOTUM (0.40) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL31448171 0.76 ALDH1A1 (0.47) NOTUMKEAP1NFE2L2TSHRALDH1A1
SCHEMBL9706659 0.75 NOTUM (0.39) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL9706512 0.75 NOTUM (0.41) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL9706620 0.74 BRD9 (0.34) BRD9NOTUMTDP1MYCNR4A1

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
EP-0863142-A1 Heterocyclic herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-09 EP disclosed