SCHEMBL994825

SCHEMBL994825

Oc1c([C]c2ccccc2)cnc2c(C(F)(F)F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.45
NR1H3 Q13133 18/20 0.45
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
CXCL8 P10145 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 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
SCHEMBL1124193 0.76 NR1H2 (0.54) NR1H2NR1H3PARP1
SCHEMBL1125252 0.74 NR1H2 (0.46) NR1H2NR1H3PARP1MEN1TNF
SCHEMBL1124802 0.74 PARP1 (0.45) NR1H2NR1H3PARP1MEN1TNF
SCHEMBL1125190 0.73 NR1H2 (0.57) NR1H2NR1H3PARP1
SCHEMBL995354 0.73 NR1H2 (0.58) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124728 0.73 NR1H3 (0.50) NR1H2NR1H3PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL11618873 0.72 NR1H2 (0.56) NR1H2NR1H3PARP1
SCHEMBL1124374 0.72 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL11201153 0.69 NR1H2 (0.53) NR1H2NR1H3PARP1
SCHEMBL11618867 0.69 NR1H2 (0.53) NR1H2NR1H3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed