SCHEMBL8686297

SCHEMBL8686297

COc1ccc(CNc2ncc(C(=O)O)cn2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.55
VNN1 O95497 3/20 0.53
NR1H4 Q96RI1 1/20 0.53
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ACHE P22303 3/20 0.50
APP P05067 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL8682662 0.89 ALDH1A1 (0.55) ALDH1A1VNN1GAAKDM4EACHE
SCHEMBL8686290 0.85 ALDH1A1 (0.54) ALDH1A1GAAKDM4EACHEAPP
SCHEMBL27561188 0.78 HDAC3 (0.52) VNN1GAA
SCHEMBL8686302 0.78 MAPK8 (0.57) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL11248949 0.75 L3MBTL1 (0.76) L3MBTL1ALDH1A1NR1H4GAAKDM4E
SCHEMBL1064897 0.75 NR1H4 (0.67) L3MBTL1ALDH1A1NR1H4GAAKDM4E
SCHEMBL9017142 0.74 ALDH1A1 (0.47) ALDH1A1GAAKDM4EACHEAPP
SCHEMBL27426334 0.74 MRGPRX4 (0.56) NR1H4KDM4ECA12CA1CA2
SCHEMBL4727807 0.74 SMN1; SMN2 (0.74) L3MBTL1ALDH1A1NR1H4ACHEMEN1
Water SCHEMBL8681365 0.73 ALDH1A1 (0.46) ALDH1A1GAAKDM4EACHEAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719187-A Compounds having a guanidine structure and pharmaceutical composition containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 1998-02-17 US disclosed
EP-0572635-B1 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NAT RECH SCIENT (FR) 1996-12-27 EP disclosed
US-5480884-A Compounds having a guanidine structure CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1996-01-02 US disclosed
EP-0572635-A1 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME. CENTRE NAT RECH SCIENT (FR) 1993-12-08 EP disclosed
EP-0572635-A4 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME. CENTRE NAT RECH SCIENT (FR) 1993-09-17 EP disclosed
WO-1993010102-A1 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 1993-05-27 WO disclosed