SCHEMBL8874141

SCHEMBL8874141

CNc1cc(OC(F)(F)Cl)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 15/20 0.51
HTR6 P50406 1/20 0.36
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
ROCK1 Q13464 1/20 0.33
AURKB Q96GD4 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL8874379 0.87 NUDT1 (0.54) NUDT1HTR6AURKAPDPK1TGFBR1
SCHEMBL8873226 0.83 MAPT (0.34) NUDT1HTR6
SCHEMBL8873249 0.83 TLR8 (0.37) NUDT1AURKAPDPK1TGFBR1AURKB
SCHEMBL7935910 0.82 HSP90AA1 (0.35) NUDT1HSP90AA1HSP90AB1
SCHEMBL7804829 0.78 NPC1 (0.44) NUDT1AURKAPDPK1TGFBR1ROCK1
SCHEMBL8874243 0.77 RAB9A (0.48) NUDT1HSP90AA1HSP90AB1
SCHEMBL7796331 0.76 KMT2A (0.43) NUDT1HSP90AA1HSP90AB1
SCHEMBL7934010 0.76 KMT2A (0.49) HSP90AA1HSP90AB1
SCHEMBL16463778 0.75 NUDT1 (0.60) NUDT1HTR6
SCHEMBL7934055 0.75 IDH2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446743-B1 Herbicidal sulfonylureas, process for their preparation and intermediates BASF AG (DE) 1995-08-02 EP claimed
EP-0446743-A2 Herbicidal sulfonylureas, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1991-09-18 EP claimed
US-5591694-A COMPOUND USED TO CONTROL UNDESIRABLE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
EP-0446743-B1 Herbicidal sulfonylureas, process for their preparation and intermediates BASF AG (DE) 1995-08-02 EP disclosed
EP-0600967-B1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AG (DE) 1995-04-19 EP disclosed
EP-0600967-A1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME. BASF AG (DE) 1994-06-15 EP disclosed
US-5276007-A Herbicidal sulfonylureas BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
WO-1993005048-A2 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed
EP-0446743-A2 Herbicidal sulfonylureas, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1991-09-18 EP disclosed