SCHEMBL8960424

SCHEMBL8960424

CC(C)Oc1cc(-n2cnc(C(F)(F)F)cc2=O)c(F)cc1N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
P2RX3 P56373 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
SCHEMBL8960336 0.83 POLB (0.33) ALDH1A1POLB
SCHEMBL8960296 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8960291 0.69 GRIA1 (0.33)
SCHEMBL7085889 0.69 TRPV4 (0.37) ALDH1A1
SCHEMBL9581391 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8960098 0.66 POLB (0.31) POLB
SCHEMBL16830345 0.66 PKM (0.34) ALDH1A1
SCHEMBL10532216 0.66 PPOX (0.44) PPOXALDH1A1P2RX3
SCHEMBL8960188 0.65 HCAR1 (0.36) ALDH1A1POLB
SCHEMBL10529953 0.65 MEN1 (0.38) PPOXALDH1A1POLBP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532208-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5366955-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0568041-A1 Pyrimidone derivatives and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-03 EP disclosed