SCHEMBL9689045

SCHEMBL9689045

NC(=O)Oc1cc(Cl)ccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ERN1 O75460 5/20 0.48
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TTR P02766 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL29728508 0.82 KMT2A (0.42) TDP1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28781871 0.81 ALDH1A1 (0.44) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL27673446 0.79 CYP4F2 (0.41) KMT2AMEN1
SCHEMBL21143488 0.79 TDP1 (0.57) TDP1ERN1KMT2AALDH1A1GAA
SCHEMBL16600290 0.78 CYP3A4 (0.44) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL29177417 0.78 MEN1 (0.50) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL29223015 0.78 TDP1 (0.52) TDP1ERN1KMT2AALDH1A1MAPT
SCHEMBL27659144 0.78 KMT2A (0.38) TDP1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8861735 0.77 KMT2A (0.57) TDP1KMT2AALDH1A1MAPTGAA
SCHEMBL6093144 0.77 TDP1 (0.55) TDP1ERN1KDM4EALDH1A1MAPT

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-0506709-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed