SCHEMBL7466018

SCHEMBL7466018

O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OC(C(Cl)C(F)(F)F)(C(F)(F)F)O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7474543 0.83 HSD17B10 (0.38) ALDH1A1CYP3A4TSHRHIF1ATDP1
SCHEMBL7471125 0.72 POLB (0.34) TDP1POLB
SCHEMBL7468644 0.71 AHR (0.36) MAPT
SCHEMBL7468265 0.71 MAPT (0.41) ALDH1A1TSHRTDP1MAPTMEN1
SCHEMBL7466073 0.71 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL7462575 0.70 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL6989713 0.70 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL8313566 0.65 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL7466538 0.64
SCHEMBL7475191 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596359-B1 Fluorinated 1,3-benzo- and 1,3-pyrido-dioxoles, process for their preparation and their use for the preparation of plant-protective agents BAYER AG (DE) 2002-07-03 EP disclosed
US-5877195-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
US-5863933-A NEMATOCIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
EP-0667863-B1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1998-06-03 EP disclosed
US-5656649-A PESTICIDE, INSECTICIDES, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed
US-5585395-A INSECTICIDES, MITICIDES, FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
EP-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
EP-0667861-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
US-5420309-A Plant saftening agents, insecticides or nematocides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011352-A1 2-CYANO-SUBSTITUTED BENZIMIDAZOLES, THEIR PRODUCTION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011351-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 EP disclosed
EP-0596359-A2 Fluorinated 1,3-benzo- and 1,3-pyrido-dioxoles, process for their preparation and their use for the preparation of plant-protective agents BAYER AG (DE) 1994-05-11 EP disclosed