SCHEMBL7622249

SCHEMBL7622249

CCS(=O)(=O)Nc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.48

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
SCHEMBL7626228 0.81 DHODH (0.50) DHODH
SCHEMBL6309209 0.79 DHODH (0.43) DHODH
SCHEMBL6315602 0.78 DHODH (0.38) DHODH
SCHEMBL39236 0.77 DHODH (0.43) DHODH
SCHEMBL6310984 0.76 DHODH (0.38) DHODH
SCHEMBL7673488 0.74 DHODH (0.43) DHODH
SCHEMBL6102981 0.73 DHODH (0.34) DHODH
SCHEMBL20112128 0.72 DHODH (0.54) DHODH
SCHEMBL6310317 0.70 DHODH (0.38) DHODH
Chlorthiamid SCHEMBL5268335 0.70 DHODH (0.42) DHODH

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
US-6451736-B1 REACTION OF THE AROMATIC NITRILE WITH HYDROGEN SULFIDE OR WITH THIOACETAMIDE; STRONG AND SELECTIVE HERBICIDAL ACTIVITY. BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-6420316-B1 1-(2-HALO-4-THIOCARBAMIDO-5-METHYLSULPHONYLAMIDOPHENYL)-3-DI-O R TRIFLUOROMETHYL-4-ALKYL-3H-1,2,4-TRIAZOLIN-5-ONES; THIO-CARBONYLATION OF A BENZONITRILE; DESICCANTS; DEFOLIANTS; CONTROLLING WEEDS, SUCH AS MONO- AND DICOTYLEDONS IN CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-6077813-A 1-(THICARBONYLAMINO),4-(1,2,4-TRIAZOL-1-YL)BENZENES; PRE- AND POSTEMERGENT HERBICIDES; MONO- AND DICOTYLEDONS; SELECTIVE CONTROL BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US disclosed
WO-1995030661-A1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-16 WO disclosed