SCHEMBL1127912

SCHEMBL1127912

O=C(Nc1ccccc1-c1ccc(Cl)cc1Cl)Oc1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRM3 P20309 2/20 0.46
KDM4E B2RXH2 2/20 0.43
PTGES O14684 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PARP14 Q460N5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL5081617 0.84 CHRM3 (0.47) MEN1KMT2ACHRM3KDM4EMAPT
SCHEMBL4780539 0.84 CHRM3 (0.45) MEN1KMT2ACHRM3KDM4EIRAK4
SCHEMBL4426887 0.80 NPC1 (0.41) MEN1KMT2ACHRM3KDM4EIRAK4
SCHEMBL1128158 0.80 NPC1 (0.45) MEN1KMT2ACHRM3KDM4ENPC1
SCHEMBL1128131 0.80 CHRM3 (0.47) KMT2ACHRM3KDM4ENPC1RAB9A
SCHEMBL4602463 0.79 NPC1 (0.47) MEN1KMT2ACHRM3KDM4ENPC1
SCHEMBL4602252 0.76 CHRM3 (0.51) MEN1KMT2ACHRM3KDM4ENPC1
SCHEMBL5087704 0.75 CHRM3 (0.47) MEN1KMT2ACHRM3KDM4ENPC1
SCHEMBL5107090 0.73 CHRM3 (0.49) MEN1KMT2ACHRM3KDM4ENPC1
SCHEMBL4731375 0.73 CCNE2 (0.40) MEN1KMT2ACHRM3NPC1RAB9A

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
EP-2296465-A2 CALCIUM SALTS OF PHOSPHOROUS ACID FOR INCREASING THE EFFECT OF FUNGICIDES BASF SE (DE) 2011-03-23 EP disclosed
EP-2282633-A1 PROCESS FOR THE PRODUCTION OF PARTICLES COMPRISING ACTIVE AGROCHEMICAL INGREDIENTS IN AMORPHOUS FORM BASF SE (DE) 2011-02-16 EP disclosed
EP-2142293-A2 ENZYMATIC METHOD FOR THE PRODUCTION OF MICROCAPSULES BASF SE (DE) 2010-01-13 EP disclosed
WO-2009150076-A2 CALCIUM SALTS OF PHOSPHOROUS ACID FOR INCREASING THE EFFECT OF FUNGICIDES BASF SE (DE) 2009-12-17 WO disclosed
WO-2009135865-A1 PROCESS FOR THE PRODUCTION OF PARTICLES COMPRISING ACTIVE AGROCHEMICAL INGREDIENTS IN AMORPHOUS FORM BASF SE (DE) 2009-11-12 WO disclosed
WO-2008132067-A2 ENZYMATIC METHOD FOR THE PRODUCTION OF MICROCAPSULES BASF SE (DE) 2008-11-06 WO disclosed