SCHEMBL8089747

SCHEMBL8089747

O=C1C(O)SCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.45
SLC6A4 P31645 11/20 0.45
SLC6A3 Q01959 8/20 0.45
ADAM17 P78536 1/20 0.43
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL8089969 0.87 NOTUM (0.38) SLC6A2SLC6A4SLC6A3ADAM17MAPT
SCHEMBL8090534 0.87 KAT2B (0.48) MAPTMEN1KMT2A
SCHEMBL8103926 0.87 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3MAPTMEN1
SCHEMBL8098980 0.84
SCHEMBL8098716 0.83 NOTUM (0.45)
SCHEMBL10733179 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADAM17MAPT
SCHEMBL8097620 0.82 HSD17B10 (0.39) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL8090389 0.81 ALDH1A1 (0.43) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL8090023 0.80 ALDH1A1 (0.33) MAPTMEN1KMT2A
SCHEMBL10729129 0.77 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3ADAM17MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022976-A Process for the production of 5-hydroxyoxazolidinones ZENECA LIMITED 2000-02-08 US disclosed
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-0880510-A1 PROCESS FOR THE PRODUCTION OF 5-HYDROXYOXAZOLIDINONES ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028138-A1 PROCESS FOR THE PRODUCTION OF 5-HYDROXYOXAZOLIDINONES ZENECA LIMITED (GB) 1997-08-07 WO 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