SCHEMBL8960188

SCHEMBL8960188

O=c1cc(C(F)(F)F)ncn1-c1cc(O)c([N+](=O)[O-])cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
THRB P10828 1/20 0.33
IDO1 P14902 1/20 0.33
RECQL P46063 1/20 0.33
TDO2 P48775 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TTR P02766 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
SCHEMBL8960224 0.83 TDP1 (0.37) ALDH1A1KDM4EPOLBMAPTPKM
SCHEMBL11785278 0.83 HCAR1 (0.53) HCAR1ALDH1A1KDM4EPOLBMAPT
SCHEMBL8960336 0.80 POLB (0.33) HCAR1ALDH1A1KDM4EPOLBMAPT
SCHEMBL8960098 0.79 POLB (0.31) POLBMAPTPKM
SCHEMBL9343857 0.75 TDP1 (0.41) ALDH1A1KDM4EPOLBMAPTTDP1
SCHEMBL8960163 0.74 HCAR1 (0.37) HCAR1ALDH1A1KDM4EPOLBMAPT
SCHEMBL9343938 0.74 TDP1 (0.45) ALDH1A1KDM4EPOLBMAPTTDP1
SCHEMBL9598659 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9765906 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL30921032 0.71 MAPT (0.34) ALDH1A1KDM4EMAPTPKMLMNA

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