SCHEMBL16622235

SCHEMBL16622235

Cc1cc(F)ccc1-c1ncc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.37
MAPK14 Q16539 3/20 0.36
HSP90AB1 P08238 2/20 0.34
NPC1 O15118 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ABL1 P00519 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADORA1 P30542 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FABP1 P07148 1/20 0.32
GRM5 P41594 1/20 0.32

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 0.96 PDK2 (0.37) PDK2MAPK14HSP90AB1NPC1ALOX5AP
SCHEMBL13072032 0.86 RAB9A (0.41) PDK2MAPK14NPC1ALOX5APFEN1
SCHEMBL16622252 0.86 PDK2 (0.38) PDK2MAPK14HSP90AB1NPC1ALOX5AP
SCHEMBL16622229 0.83 PDK2 (0.38) PDK2MAPK14NR3C1PGR
SCHEMBL15256083 0.83 ABL1 (0.41) MAPK14HSP90AB1NPC1ABL1ADORA1
SCHEMBL16622233 0.83 RAB9A (0.43) MAPK14NPC1ABL1ADORA1PDGFRB
SCHEMBL16622246 0.83 RAB9A (0.43) MAPK14NPC1ABL1ADORA1PDGFRB
SCHEMBL16622234 0.82 ADORA1 (0.40) MAPK14HSP90AB1NPC1ABL1ADORA1
SCHEMBL15256047 0.82 RAB9A (0.44) PDK2MAPK14NPC1ALOX5APFEN1
SCHEMBL15256048 0.80 RAB9A (0.42) PDK2NPC1PDGFRBKDRFLT3

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