SCHEMBL7808644

SCHEMBL7808644

CNc1nc(F)nc(OC(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CFTR P13569 2/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9183979 0.87 MEN1 (0.37) CFTRCHRNA7MEN1LMNAKMT2A
SCHEMBL7806809 0.87 CFTR (0.40) CFTRCHRNA7MEN1LMNAKMT2A
SCHEMBL7804038 0.85 CA12 (0.33) CA12CA1CA2CA3CA4
SCHEMBL7804014 0.80
SCHEMBL9197498 0.80 MAPK1 (0.42) CA1CA2CA9CFTRCHRNA7
SCHEMBL7798101 0.78 CHRNA7 (0.37) CFTRCHRNA7MEN1LMNAKMT2A
SCHEMBL9189093 0.78 PDE4A (0.48) CFTRCHRNA7LMNA
SCHEMBL9190006 0.78 MEN1 (0.36) CFTRCHRNA7MEN1LMNAKMT2A
SCHEMBL9203247 0.76 MEN1 (0.44) CA1CA2CA9CFTRMEN1
SCHEMBL9197196 0.76 CYP1A2 (0.46) MEN1LMNAKMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342939-A 2-amino-4-fluoroalkoxy-1,3,5-triazines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US claimed
EP-0469462-A1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF Aktiengesellschaft (DE) 1992-02-05 EP claimed
EP-0572429-B1 SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF BASF AG (DE) 2001-04-18 EP disclosed
EP-0469460-B1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF AG (DE) 1995-10-18 EP disclosed
EP-0470434-B1 Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation BASF AG (DE) 1995-10-11 EP disclosed
EP-0469462-B1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF AG (DE) 1995-10-11 EP disclosed
US-5434124-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
US-5342939-A 2-amino-4-fluoroalkoxy-1,3,5-triazines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5280118-A Trifluoro-and chlorodifluoromethoxy-1,3,5-triazines BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
EP-0572429-A1 SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed
US-5214143-A 2-AMINO-4-FLUOROALKOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5194610-A TRIFLUORO- AND CHLORODIFLUOROMETHOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5188657-A Herbicides consisting of sulfonyl-1,3,5-triazin-2-ylureas BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
WO-1992014715-A1 SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed
EP-0470434-A2 Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation BASF Aktiengesellschaft (DE) 1992-02-12 EP disclosed
EP-0469460-A1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed
EP-0469462-A1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed