SCHEMBL2371113

SCHEMBL2371113

O=c1sc2ccccc2n1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 3/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
ALPG P10696 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43

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
Acetic Acid SCHEMBL10572637 0.89 L3MBTL1 (0.50) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL5606679 0.76 L3MBTL1 (0.52) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL61339 0.74 F12 (0.59) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL26456483 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL542882 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL27039600 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL4846941 0.74 L3MBTL1 (0.69) L3MBTL1KDM4EPKMMAPK1TSHR
Formaldehyde SCHEMBL28698810 0.72 F12 (0.57) L3MBTL1KDM4EPKMMAPK1TSHR
Hydrochloric Acid SCHEMBL1719468 0.72 F12 (0.57) L3MBTL1KDM4EPKMMAPK1TSHR
SCHEMBL2149244 0.71 L3MBTL1 (0.65) L3MBTL1KDM4EPKMMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770827-B1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2019-07-17 EP disclosed
EP-2547199-B1 NOVEL USES OF ESTERAMIDE COMPOUNDS RHODIA OPERATIONS (FR) 2018-05-16 EP disclosed
EP-2547651-B1 ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF RHODIA OPERATIONS (FR) 2016-10-19 EP disclosed
EP-2961739-A2 FURFURAL DERIVATIVES AS A VEHICLE Rhodia Operations (FR) 2016-01-06 EP disclosed
WO-2014132178-A2 FURFURAL DERIVATIVES AS A VEHICLE RHODIA OPERATIONS (FR) 2014-09-04 WO disclosed
EP-2770827-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME Rhodia Operations (FR) 2014-09-03 EP disclosed
WO-2013053834-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2013-04-18 WO disclosed
EP-2547199-A2 NOVEL USES OF ESTERAMIDE COMPOUNDS Rhodia Operations (FR) 2013-01-23 EP disclosed
EP-2547651-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF Rhodia Operations (FR) 2013-01-23 EP disclosed
WO-2011113852-A2 NOVEL USES OF ESTERAMIDE COMPOUNDS RHODIA OPERATIONS (FR) 2011-09-22 WO disclosed
WO-2011113886-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF RHODIA OPERATIONS (FR) 2011-09-22 WO disclosed
CN-1671373-A Compounds for inhibiting ALDH ENDOWMENT FOR RES IN HUMAN BIO (US) 2005-09-21 CN disclosed
EP-0201417-B1 SURFACTANT COMPOSITION, PROCESS FOR ITS PREPARATION AND ITS USE RHONE-POULENC CHIMIE (FR) 1988-09-14 EP disclosed