SCHEMBL9525993

SCHEMBL9525993

COc1ccc(NC(C)=O)cc1OC(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPK1 P28482 3/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
RORC P51449 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.48
IMPDH2 P12268 1/20 0.48

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
SCHEMBL30675569 0.94 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL9527028 0.92 RORC (0.55) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL1851780 0.85 SMN1; SMN2 (0.68) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL30492996 0.85 SMN1; SMN2 (0.68) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL4117088 0.83 KMT2A (0.72) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL9526483 0.83 RORC (0.52) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL3701811 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL13811509 0.82 RORC (0.76) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL7718375 0.80 ALDH1A1 (0.50) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL10780177 0.80 KDM4E (0.56) SMN1; SMN2MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
EP-0200777-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-11-12 EP disclosed
WO-1986002645-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP 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