SCHEMBL8103628

SCHEMBL8103628

CC(C)(C)NC(=O)OC1SCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.37
SLC6A2 P23975 10/20 0.37
SLC6A3 Q01959 7/20 0.37
CASP3 P42574 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADAM17 P78536 1/20 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
SCHEMBL8105285 0.91 MAPT (0.37) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL8105610 0.90 CYP1A2 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL8103924 0.89
SCHEMBL8097866 0.89 NOTUM (0.41)
SCHEMBL8105911 0.87 KMT2A (0.35) CASP3MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL8098702 0.87 ALDH1A1 (0.38) CASP3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8105889 0.86 CACNA1H (0.35) ALDH1A1CYP2D6
SCHEMBL8097595 0.84 KMT2A (0.37) CASP3SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL8098695 0.83 MAPT (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8097540 0.82 POLB (0.36) CASP3MAPTSMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed