SCHEMBL7973413

SCHEMBL7973413

O=C(O)Oc1cccc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM4 Q14833 3/20 0.34
KDM1A O60341 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL377165 0.87 KDM4E (0.44) MAPTKDM4EALOX15TSHRACMSD
SCHEMBL21115271 0.82 MEN1 (0.44) CYP11B1CYP11B2MAPTGRM4FPR2
SCHEMBL248107 0.80 HTR7 (0.42) MAPTKDM4EALOX15TSHRACMSD
SCHEMBL186848 0.78 KDM4E (0.37) MAPTKDM4EALOX15TSHRACMSD
SCHEMBL755699 0.78 TDP1 (0.47) KDM4ETDP1
SCHEMBL18952270 0.77 PIM1 (0.36) CYP11B1CYP11B2KDM4EALOX15TSHR
SCHEMBL2780205 0.76 ASIC3 (0.39) MAPTKDM4EALOX15TSHRACMSD
SCHEMBL3647432 0.76 RAB9A (0.44) CYP11B1CYP11B2KDM4ETSHRGRM4
SCHEMBL1732930 0.76 L3MBTL1 (0.45) MAPTKDM4EALOX15TSHRACMSD
SCHEMBL16834486 0.76 PGK1 (0.38) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083586-B1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma AG (DE) 2018-04-18 EP disclosed
EP-3083586-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091426-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2001000601-A1 NOVEL 4-(2-OXODIHYDROOXADIAZINYLPHENYL)AMIDES AND THE USE THEREOF FOR TREATING ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed