SCHEMBL5773760

SCHEMBL5773760

Cn1c(C(F)(F)F)ccc(-c2cc([N+](=O)[O-])c(F)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESPL1 Q14674 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
VCAM1 P19320 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
PTGES O14684 2/20 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
SCHEMBL5777107 0.89 CYP3A4 (0.37) KDM4EMAPTLMNAHTTNPSR1
SCHEMBL8189104 0.80 KDM4E (0.36) KDM4EMAPTLMNAHTTNPSR1
SCHEMBL5770810 0.79 SMN1; SMN2 (0.36) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL5771916 0.78 HSD11B1 (0.39) KDM4EMAPTLMNAHTTNPSR1
SCHEMBL5771668 0.76 RAB9A (0.38) LMNAHTTALDH1A1SMN1; SMN2GAA
SCHEMBL5771977 0.76 MEN1 (0.37) MAPTLMNAHTTTDP1ALDH1A1
SCHEMBL5775116 0.74 HSD11B1 (0.47) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL5776527 0.74 HSD11B1 (0.39) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL5775093 0.74 HSD11B1 (0.36) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL5776472 0.73 BRD4 (0.50) LMNAHTTNPSR1TDP1ALDH1A1

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 5 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-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 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