SCHEMBL6683082

SCHEMBL6683082

CC(C=O)CNc1c(Cl)cccc1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.48
PTGS2 P35354 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
XBP1 P17861 1/20 0.45
KDR P35968 1/20 0.43
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6683080 0.83 TDP1 (0.56) TDP1MAPTPTGS2MEN1KMT2A
SCHEMBL6716560 0.74 TDP1 (0.62) TDP1MAPTPTGS2MEN1KMT2A
SCHEMBL6713049 0.70 TDP1 (0.58) TDP1MAPTPTGS2MEN1KMT2A
SCHEMBL1496356 0.69 TRPV1 (0.59) TDP1MAPTNPC1KDRABL1
SCHEMBL12225782 0.69 NPC1 (0.69) TDP1MAPTMEN1KMT2ANPC1
SCHEMBL18855245 0.68 PTGS2 (0.52) TDP1MAPTPTGS2MEN1KMT2A
SCHEMBL4423725 0.68 ALDH1A1 (0.52) TDP1MAPTPTGS2MEN1KMT2A
SCHEMBL1499586 0.67 MAPT (0.61) TDP1MAPTMEN1KMT2ANPC1
Triflumuron SCHEMBL29832813 0.67 TDP1 (1.00) TDP1MAPTMEN1KMT2ANPC1
Triflumuron SCHEMBL9490691 0.67 TDP1 (1.00) TDP1MAPTMEN1KMT2ANPC1

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
EP-1427705-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-06-16 EP disclosed
WO-2003026415-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-03 WO disclosed