SCHEMBL6496071

SCHEMBL6496071

Nn1c(C(F)(F)F)n[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7841671 0.67 CYP1A2 (0.31) CYP1A2
SCHEMBL9279734 0.67
SCHEMBL8011310 0.65
SCHEMBL6619972 0.61
SCHEMBL9125262 0.61 NOTUM (0.30)
SCHEMBL8741759 0.60 KDM4E (0.35) ALDH1A1
SCHEMBL9532893 0.58 GLA (0.39) ALDH1A1L3MBTL1
SCHEMBL8305450 0.57 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16324245 0.57 POLB (0.34) CYP1A2POLBL3MBTL1
SCHEMBL6643747 0.56 LMNA (0.40) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597360-A1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 1994-05-18 EP claimed
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
EP-0597360-B1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 2001-10-17 EP disclosed
US-5663362-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0609734-B1 Substituted triazolinones and their use as herbicides BAYER AG (DE) 1997-08-27 EP disclosed
US-5464810-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
EP-0609734-A1 Substituted triazolinones and their use as herbicides BAYER AG (DE) 1994-08-10 EP disclosed
EP-0597360-A1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 1994-05-18 EP disclosed