SCHEMBL16622252

SCHEMBL16622252

Cc1cc(F)ccc1-c1ncc(-c2ccc(F)cc2)nc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
MAPK14 Q16539 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MAPT P10636 5/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ABL1 P00519 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL13212326 0.90 PDK2 (0.37) PDK2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL15256088 0.86 PDK2 (0.38) PDK2NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL15256087 0.86 RAB9A (0.45) PDK2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL16622235 0.86 PDK2 (0.37) PDK2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL13072216 0.84 RAB9A (0.43) PDK2NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL15256098 0.84 DHODH (0.41) MAPK14MAPTABL1GRM5
SCHEMBL16622246 0.83 RAB9A (0.43) MAPK14NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL16622233 0.83 RAB9A (0.43) MAPK14NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL15256078 0.83 PDK2 (0.38) PDK2MAPK14MAPTNR3C1PGR
SCHEMBL16948819 0.83 NPC1 (0.41) PDK2NPC1RAB9ASMN1; SMN2KDR

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
US-8999520-B2 Organometallic complex and light emitting element, light emitting device, and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-07 US disclosed