SCHEMBL7806809

SCHEMBL7806809

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA7 P36544 1/20 0.40
PDE4A P27815 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
IDH2 P48735 1/20 0.34
PDE7A Q13946 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR39 O43194 1/20 0.31

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 0.95 MEN1 (0.37) CFTRMEN1KMT2AL3MBTL1LMNA
SCHEMBL7808644 0.87 CA12 (0.34) CFTRMEN1KMT2AL3MBTL1LMNA
SCHEMBL9197498 0.87 MAPK1 (0.42) CFTRMEN1KMT2AL3MBTL1LMNA
SCHEMBL9197196 0.87 CYP1A2 (0.46) MEN1KMT2AL3MBTL1LMNATDP1
SCHEMBL9190006 0.86 MEN1 (0.36) CFTRMEN1KMT2AL3MBTL1LMNA
SCHEMBL7798101 0.86 CHRNA7 (0.37) CFTRMEN1KMT2AL3MBTL1LMNA
SCHEMBL9189093 0.86 PDE4A (0.48) CFTRLMNACHRNA7PDE4ACYP1A2
SCHEMBL9204633 0.82 GAA (0.39) MEN1KMT2AL3MBTL1LMNAPDE4A
SCHEMBL9203247 0.82 MEN1 (0.44) CFTRMEN1KMT2AL3MBTL1LMNA
SCHEMBL7804789 0.82 PDE4A (0.39) CFTRMEN1KMT2AL3MBTL1LMNA

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
EP-0469460-B1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF AG (DE) 1995-10-18 EP claimed
EP-0469460-A1 Herbicidal sulphonylureas, method for their preparation and intermediates 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-0469462-A1 2-Amino-(fluoroalkoxy-1,3,5-triazines) and method for their preparation BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed
EP-0469460-A1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed