SCHEMBL5771916

SCHEMBL5771916

Cn1c(C(F)(F)F)ccc(-c2cc([N+](=O)[O-])c(O)cc2Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5771977 0.84 MEN1 (0.37) HSD11B1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5777107 0.82 CYP3A4 (0.37) HSD11B1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5775170 0.81 COMT (0.36) HSD11B1CYP2C9LMNAALDH1A1HPGD
SCHEMBL5773760 0.78 KDM4E (0.38) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5772129 0.77 PPOX (0.38) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL5775116 0.71 HSD11B1 (0.47) HSD11B1CYP2C9LMNAALDH1A1SMN1; SMN2
SCHEMBL8177447 0.71 AKR1B1 (0.37) HSD11B1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5770810 0.69 SMN1; SMN2 (0.36) CYP3A4CYP1A2CYP2C19LMNAMAPT
SCHEMBL29672268 0.68 ALDH1A1 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL1024954 0.68 ALDH1A1 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19LMNA

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