SCHEMBL8960224

SCHEMBL8960224

COc1cc(-n2cnc(C(F)(F)F)cc2=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 7/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
ESRRA P11474 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8960336 0.88 POLB (0.33) TDP1ALDH1A1PKMMAPTPOLB
SCHEMBL8960098 0.84 POLB (0.31) PKMMAPTPOLB
SCHEMBL8960188 0.83 HCAR1 (0.36) TDP1ALDH1A1PKMMAPTPOLB
SCHEMBL11785278 0.77 HCAR1 (0.53) ALDH1A1PKMMAPTPOLBKDM4E
SCHEMBL9343857 0.72 TDP1 (0.41) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL8960424 0.72 PPOX (0.33) ALDH1A1POLB
SCHEMBL9343938 0.71 TDP1 (0.45) TDP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL31342675 0.69 ALDH1A1 (0.56) ALDH1A1PKMMAPTCYP1A2CYP2D6
SCHEMBL29661436 0.69 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL517768 0.69 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKDM4ELMNA

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