SCHEMBL8960336

SCHEMBL8960336

CC(C)Oc1cc(-n2cnc(C(F)(F)F)cc2=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
PDK1 Q15118 1/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 8/20 0.32
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 2/20 0.31
HCAR1 Q9BXC0 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8960224 0.88 TDP1 (0.37) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8960424 0.83 PPOX (0.33) POLBALDH1A1
SCHEMBL8960098 0.82 POLB (0.31) POLBMAPTPKM
SCHEMBL8960188 0.80 HCAR1 (0.36) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11785278 0.75 HCAR1 (0.53) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9343857 0.70 TDP1 (0.41) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL31510254 0.69 PDK1 (0.43) PDK1EGFRMAPTALDH1A1SMN1; SMN2
SCHEMBL9343938 0.69 TDP1 (0.45) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9765906 0.66 ALDH1A1 (0.39) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8960296 0.66 ALDH1A1 (0.31) MAPTALDH1A1KDM4E

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