SCHEMBL1128158

SCHEMBL1128158

O=C(Nc1ccccc1-c1cc(F)ccc1F)Oc1cn[nH]c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CHRM3 P20309 12/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 3/20 0.38
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL1128131 0.91 CHRM3 (0.47) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL4602463 0.88 NPC1 (0.47) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL5087704 0.84 CHRM3 (0.47) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL4602252 0.83 CHRM3 (0.51) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL4426887 0.82 NPC1 (0.41) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL1127912 0.80 MEN1 (0.48) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL4780539 0.79 CHRM3 (0.45) NPC1RAB9ANPSR1KDM4ECHRM3
SCHEMBL5081617 0.77 CHRM3 (0.47) ALDH1A1KDM4ECHRM3KMT2ACHRM1
SCHEMBL5084476 0.75 ALDH1A1 (0.50) NPC1RAB9ANPSR1ALDH1A1CHRM3
SCHEMBL1561413 0.73 HTT (0.48) NPC1RAB9ANPSR1ALDH1A1CYP1A2

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 8 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-2150106-A2 ACTIVE INGREDIENT COMPOSITIONS FOR PLANT PROTECTION BASF SE (DE) 2010-02-10 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-2008132179-A2 ACTIVE INGREDIENT COMPOSITIONS FOR PLANT PROTECTION BASF SE (DE) 2008-11-06 WO disclosed
WO-2008132067-A2 ENZYMATIC METHOD FOR THE PRODUCTION OF MICROCAPSULES BASF SE (DE) 2008-11-06 WO disclosed