SCHEMBL7706872

SCHEMBL7706872

NC(=NO)c1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.58
HPGD P15428 6/20 0.55
MAPT P10636 4/20 0.55
TSHR P16473 3/20 0.55
ALOX15 P16050 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 7/20 0.51
NPC1 O15118 7/20 0.51
MAPK1 P28482 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47

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
SCHEMBL6321387 0.79 MAPT (0.58) FLT3HPGDMAPTTSHRALOX15
SCHEMBL6321384 0.79 MAPT (0.58) FLT3HPGDMAPTTSHRALOX15
SCHEMBL10367976 0.79 FLT3 (0.56) FLT3HPGDMAPTTSHRALOX15
SCHEMBL7701260 0.77 CHRNA7 (0.43) FLT3HPGDMAPTTSHRLMNA
SCHEMBL7701256 0.77 NPC1 (0.40) FLT3HPGDMAPTTSHRALOX15
SCHEMBL563143 0.76 FLT3 (0.62) FLT3HPGDMAPTTSHRALOX15
SCHEMBL25687336 0.76 FLT3 (0.62) FLT3HPGDMAPTTSHRALOX15
SCHEMBL29496924 0.76 FLT3 (0.74) FLT3HPGDMAPTTSHRALOX15
SCHEMBL649402 0.76 FLT3 (0.74) FLT3HPGDMAPTTSHRALOX15
Hydrochloric Acid SCHEMBL7706271 0.75 CHRNA7 (0.42) FLT3HPGDMAPTTSHRLMNA

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 10 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-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO 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