SCHEMBL8097784

SCHEMBL8097784

O=C1C(Cl)SCN1c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
ALOX5 P09917 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HSD11B1 P28845 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
NOTUM Q6P988 1/20 0.36
ADRB1 P08588 1/20 0.36
AADAT Q8N5Z0 1/20 0.36

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
SCHEMBL8089631 0.87 P2RX7 (0.42) ALDH1A1NOTUMADRB1AADAT
SCHEMBL8096448 0.82 MGLL (0.40) MGLLALOX5SMN1; SMN2HDAC1HDAC8
SCHEMBL8099397 0.81 MAPT (0.59) ALDH1A1MAPTHSD11B1NOTUMAADAT
SCHEMBL10732284 0.78 L3MBTL1 (0.39) ALDH1A1MAPTHSD11B1AADAT
SCHEMBL8103224 0.77 MEN1 (0.44) SMN1; SMN2ALDH1A1MAPTNPC1GAA
SCHEMBL29749809 0.72 MAPT (0.66) MGLLALOX5SMN1; SMN2ALDH1A1MAPT
SCHEMBL8097654 0.72 ALOX15 (0.43) MGLLALOX5ALDH1A1MAPTTP53
SCHEMBL8106122 0.72 MAPT (0.66) MGLLALOX5SMN1; SMN2ALDH1A1MAPT
SCHEMBL8105245 0.72 ALDH1A1 (0.47) MGLLALOX5SMN1; SMN2ALDH1A1MAPT
SCHEMBL10733179 0.72 SLC6A2 (0.46) SMN1; SMN2MAPT

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