SCHEMBL8609293

SCHEMBL8609293

O=[N+]([O-])c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.44
HSPB1 P04792 3/20 0.44
CYP19A1 P11511 2/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL2086886 0.92 CYP19A1 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4043515 0.92 CYP19A1 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4323651 0.90 HTT (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4326715 0.90 HTT (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL3639867 0.86 ALDH1A1 (0.53) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9526847 0.86 HSPB1 (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29739501 0.86 ALDH1A1 (0.53) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2089645 0.84 GPR35 (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL22954121 0.84 ALDH1A1 (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL13226017 0.84 HSD17B10 (0.55) MAPTMEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP disclosed
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 EP disclosed