SCHEMBL5771977

SCHEMBL5771977

COc1cc(Cl)c(-c2ccc(C(F)(F)F)n(C)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHEK1 O14757 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SIRT6 Q8N6T7 1/20 0.36
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
HSD11B1 P28845 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5771916 0.84 HSD11B1 (0.39) LMNAALDH1A1TDP1MAPTHTT
SCHEMBL5772129 0.81 PPOX (0.38) LMNAALDH1A1MAPTNPC1
SCHEMBL5777107 0.81 CYP3A4 (0.37) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL5773760 0.76 KDM4E (0.38) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL5770810 0.74 SMN1; SMN2 (0.36) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4475384 0.71 LMNA (0.44) LMNAALDH1A1TDP1MAPTHTT
SCHEMBL29757741 0.69 LMNA (0.41) LMNAALDH1A1TDP1MAPTHTT
SCHEMBL5775170 0.69 COMT (0.36) MEN1KMT2ALMNAALDH1A1HSD11B1
SCHEMBL25358493 0.69 LMNA (0.42) LMNAALDH1A1TDP1MAPTCYP3A4
SCHEMBL8177447 0.69 AKR1B1 (0.37) LMNAALDH1A1TDP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed