SCHEMBL27964264

SCHEMBL27964264

COc1cnc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
AMY1A P0DUB6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
TRPA1 O75762 2/20 0.40
F2RL3 Q96RI0 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALPL P05186 1/20 0.38
SYK P43405 1/20 0.37
NFE2L2 Q16236 1/20 0.37
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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 0.81 ALOX5AP (0.45) ALOX5APFEN1L3MBTL1RAB9AHDAC1
SCHEMBL11985001 0.80 CASP6 (0.44) ALPLNFE2L2RXRAGRIN1GRIN2B
SCHEMBL29463693 0.80 NPC1 (0.48) ALOX5APFEN1AMY1AL3MBTL1NPC1
SCHEMBL22443378 0.80 NPC1 (0.48) ALOX5APFEN1AMY1AL3MBTL1NPC1
SCHEMBL10501607 0.79 CLK4 (0.48) ALOX5APFEN1NPC1RAB9ASYK
SCHEMBL19387237 0.78 AMY1A (0.46) AMY1ANPC1RAB9AHDAC1HDAC6
SCHEMBL28006144 0.77 BUB1 (0.36) ALOX5APFEN1NPC1RAB9ASMN1; SMN2
SCHEMBL27979827 0.76 ALOX5AP (0.44) ALOX5APFEN1GAAHDAC1HDAC6
SCHEMBL11979769 0.76 GAA (0.38) L3MBTL1SMN1; SMN2GAAALPLRXRA
SCHEMBL20460300 0.74 CLK4 (0.52) NPC1RAB9ANFE2L2GRIN1GRIN2B

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
CN-104177426-A Blue phosphorescence iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104178113-A Blue-light organic electrophosphorescent materials, preparing method thereof and applications of the materials OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104178108-A Blue phosphorescence iridium metal complex, preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed
CN-104177418-A Blue phosphorescence iridium metal complex, preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-12-03 CN disclosed