SCHEMBL7701356

SCHEMBL7701356

NC(=NO)c1cc2cc(F)c(F)cc2o1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
FLT3 P36888 3/20 0.30

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
SCHEMBL7701256 0.79 NPC1 (0.40) LMNAMAPTHPGDALOX15TSHR
SCHEMBL7701260 0.79 CHRNA7 (0.43) LMNAMAPTHPGDTSHRFLT3
Hydrochloric Acid SCHEMBL7706271 0.77 CHRNA7 (0.42) LMNAMAPTHPGDTSHRFLT3
Hydrochloric Acid SCHEMBL7709258 0.77 NPC1 (0.39) LMNAMAPTHPGDALOX15TSHR
SCHEMBL7706250 0.77 ALDH1A1 (0.39) LMNAMAPTHPGDTSHRFLT3
SCHEMBL7701254 0.77 PRMT1 (0.36) FLT3
Hydrochloric Acid SCHEMBL7703630 0.76 PRMT1 (0.35) FLT3
SCHEMBL4310530 0.73 PIM1 (0.53) LMNAMAPTHPGDTSHRHTT
SCHEMBL20136038 0.72 LMNA (0.56) LMNAMAPTHPGDTSHRFLT3
SCHEMBL7706872 0.72 FLT3 (0.58) LMNAMAPTHPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP claimed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO claimed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO disclosed