SCHEMBL16622239

SCHEMBL16622239

Cc1ccccc1-c1ncc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
PARP1 P09874 1/20 0.40
TOP1 P11387 3/20 0.40
KIF11 P52732 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
TGFBR1 P36897 1/20 0.36
NPC1 O15118 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN2A Q99250 2/20 0.36
CHUK O15111 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
SCHEMBL15256053 0.87 TOP1 (0.44) MAOBPARP1TOP1KIF11TRPV1
SCHEMBL16622238 0.85 NR3C1 (0.43) MAOBALOX5APFEN1NPC1PDGFRB
SCHEMBL15256076 0.84 NPC1 (0.41) ALOX5APFEN1NPC1PDGFRBKDR
SCHEMBL16622240 0.84 RAB9A (0.47) ALOX5APFEN1NPC1PDGFRBKDR
SCHEMBL15256055 0.84 RAB9A (0.50) NPC1PDGFRBKDRFLT3RAB9A
SCHEMBL16949242 0.81 ALOX5AP (0.37) ALOX5APFEN1NPC1PDGFRBKDR
SCHEMBL16949235 0.80 NR1H4 (0.49) MAOBPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL13072034 0.79 ALOX5AP (0.42) ALOX5APFEN1NPC1PDGFRBKDR
SCHEMBL15256061 0.78 RAC1 (0.43) MAOBALOX5APFEN1NPC1PDGFRB
SCHEMBL16622278 0.77 KIF11 (0.46) MAOBTOP1KIF11TRPV1TNKS

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