SCHEMBL7474543

SCHEMBL7474543

O=[N+]([O-])c1ccc2c(c1)OC(C(Cl)C(F)(F)F)(C(F)(F)F)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1B1 P15121 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 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
SCHEMBL7466018 0.83 CYP1A2 (0.39) ALDH1A1HIF1AMEN1MAPTKMT2A
SCHEMBL7468644 0.76 AHR (0.36) MAPTLMNAHTT
SCHEMBL7466073 0.75 ALDH1A1 (0.38) HSD17B10ALDH1A1TDP1
SCHEMBL7471125 0.74 POLB (0.34) HSD17B10POLBTDP1LMNAHTT
SCHEMBL7465099 0.73 CA9 (0.38) HSD17B10CA9CA12CA1KDM1A
SCHEMBL30330229 0.73 ALDH1A1 (0.43) HSD17B10CA9CA12CA1ALDH1A1
SCHEMBL30849385 0.73 ALDH1A1 (0.43) HSD17B10CA9CA12CA1ALDH1A1
SCHEMBL9230962 0.73 ALDH1A1 (0.43) HSD17B10CA9CA12CA1ALDH1A1
SCHEMBL10920807 0.73 HSD17B10 (0.46) HSD17B10CA9CA12CA1ALDH1A1
SCHEMBL9424845 0.71 CYP1A2 (0.54) HSD17B10CA9CA12CA1ALDH1A1

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 17 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-0667862-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP 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-1994011352-A1 2-CYANO-SUBSTITUTED BENZIMIDAZOLES, THEIR PRODUCTION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION 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