SCHEMBL8096448

SCHEMBL8096448

O=C1C(O)SCN1c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPK14 Q16539 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALOX5 P09917 2/20 0.37
NPC1 O15118 2/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL8090067 0.88 P2RX7 (0.41) NOTUMMAPK14AADATALDH1A1P2RX7
SCHEMBL8097784 0.82 MGLL (0.41) MGLLHDAC1HDAC8HDAC6NOTUM
SCHEMBL8089589 0.81 MAPT (0.54) NOTUMAADATALDH1A1MAPTTP53
SCHEMBL8097171 0.77 MEN1 (0.49) MGLLAADATALDH1A1GAAMAPT
SCHEMBL8097433 0.76 MEN1 (0.44) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL8097620 0.73 HSD17B10 (0.39) MGLLHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8089747 0.73 SLC6A2 (0.45) HDAC1HDAC8HDAC6NPC1MAPT
SCHEMBL8090389 0.73 ALDH1A1 (0.43) MGLLHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8098980 0.72
SCHEMBL8090023 0.71 ALDH1A1 (0.33) NOTUMALDH1A1GAAMAPTMEN1

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