SCHEMBL9526748

SCHEMBL9526748

CC(=O)Nc1ccc(OC(F)(F)Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
EPHX2 P34913 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRNA7 P36544 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL9070653 0.86 EPHX2 (0.73) ALDH1A1MEN1KMT2AEPHX2TDP1
SCHEMBL9527285 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AEPHX2TDP1
SCHEMBL9687321 0.82 LMNA (0.54) ALDH1A1MEN1KMT2AEPHX2TDP1
SCHEMBL22816430 0.81 EPHX2 (0.67) MEN1KMT2AEPHX2SMN1; SMN2HTT
Butacetin SCHEMBL26351 0.80 MEN1 (0.63) ALDH1A1MEN1KMT2AEPHX2TDP1
SCHEMBL29832702 0.78 ABL1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11287142 0.77 LMNA (0.53) ALDH1A1MEN1KMT2AEPHX2LMNA
SCHEMBL12540597 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12540595 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL28833677 0.76 TRPV1 (0.61) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2

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-2900637-B1 THIAZOLE OR IMIDAZOLE SUBSTITUTED PYRIMIDINE, PYRIDINE AND PYRAZINE AMIDE DERIVATIVES AND RELATED COMPOUNDS AS ABL1, ABL2 AND BCR-ABL1 INHIBITORS FOR THE TREATMENT OF CANCER, SPECIFIC VIRAL INFECTIONS AND SPECIFIC CNS DISORDERS NOVARTIS AG (CH) 2017-08-09 EP disclosed
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO 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
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
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