SCHEMBL28814765

SCHEMBL28814765

COc1cnc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
CYP26A1 O43174 2/20 0.40
CYP24A1 Q07973 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
NFE2L2 Q16236 2/20 0.39
PPP1CA P62136 1/20 0.39
LRRK2 Q5S007 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS1 P23219 1/20 0.38
AHR P35869 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LIMK1 P53667 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
SCHEMBL18843177 0.85 ALOX5AP (0.45) ALOX5APFEN1KMT2AMEN1L3MBTL1
SCHEMBL26375532 0.83 ALOX5AP (0.43) ALOX5APFEN1KMT2AMEN1
SCHEMBL27979890 0.81 ALOX5AP (0.42) ALOX5APFEN1
SCHEMBL24910222 0.79 FEN1 (0.43) ALOX5APFEN1
SCHEMBL18843178 0.78 DDR1 (0.38) ALOX5APFEN1KMT2AMEN1L3MBTL1
Methane SCHEMBL23369618 0.77 DDR1 (0.37) ALOX5APFEN1KMT2AMEN1L3MBTL1
SCHEMBL18843187 0.77 ALOX5AP (0.40) ALOX5APFEN1PTGDR2
SCHEMBL27979894 0.77 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL28020024 0.77 CYP11B1 (0.57) ALOX5APFEN1RAB9ACYP11B1CYP11B2
SCHEMBL27932659 0.76 CLK4 (0.47) ALOX5APFEN1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104178105-A Blue phosphorescence iridium metal complex, preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104177417-A Blue phosphorescence iridium metal complex, preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104177429-A Blue phosphorescence iridium complexes, preparing method thereof and organic electroluminescent devices OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104177430-A Blue phosphorescence iridium complexes, preparing method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104177415-A Blue phosphorescence material iridium metal complex, preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed