SCHEMBL8884532

SCHEMBL8884532

O=C=NS(=O)(=O)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CYP2D6 P10635 3/20 0.35
KCNH2 Q12809 3/20 0.35
DRD2 P14416 3/20 0.34
NR1I2 O75469 1/20 0.34
RORC P51449 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL9807523 0.84 LMNA (0.32) KCNH2
SCHEMBL2910656 0.76 HDAC3 (0.43) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL2376083 0.76 HCRTR1 (0.41) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL2376077 0.76 HDAC3 (0.40) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL3127823 0.76 GRIN2B (0.42) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL270517 0.76 HDAC3 (0.43) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL271043 0.76 HCRTR1 (0.41) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL8883642 0.75 HDAC3 (0.42) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL14378227 0.75 HCRTR1 (0.41) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL4106263 0.75 GRIN2B (0.47) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625074-A Sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
US-5532378-A Sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
EP-0341489-B1 Sulfonyl amino carbonyl triazolinones BAYER AG (DE) 1995-08-23 EP disclosed
US-5405970-A Unique chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
US-5241074-A Hherbicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5094683-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-5057144-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
US-4990637-A Chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4927454-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-05-22 US disclosed
EP-0341489-A1 Sulfonyl amino carbonyl triazolinones BAYER AG (DE) 1989-11-15 EP disclosed
US-4806147-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0271780-A2 Substituted 1-benzylsulfonyl-3-heteroaryl(thio) urea BAYER AG (DE) 1988-06-22 EP disclosed