SCHEMBL7701266

SCHEMBL7701266

CCOCc1cccc2cc(C(N)=NO)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
KDM1A O60341 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.31

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
Hydrochloric Acid SCHEMBL7701264 0.99 KMT2A (0.39) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL7706934 0.84 KMT2A (0.57) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL7703462 0.84 ALDH1A1 (0.41) KMT2AALDH1A1HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL7706870 0.83 KMT2A (0.40) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL7701284 0.79 CYP1A2 (0.54) KMT2AALDH1A1HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL7709270 0.78 CYP1A2 (0.53) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL7706290 0.78 KDM4E (0.50) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL5584156 0.74 KMT2A (0.69) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14571510 0.74 KMT2A (0.69) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL5584155 0.74 KMT2A (0.69) KMT2AALDH1A1HTTKDM4ELMNA

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