SCHEMBL16622249

SCHEMBL16622249

Cc1cc(C(F)(F)F)ccc1-c1ncc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
FEN1 P39748 7/20 0.40
ALOX5AP P20292 6/20 0.40
KCNH2 Q12809 4/20 0.40
TOP1 P11387 2/20 0.40
PARP1 P09874 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MAOB P27338 1/20 0.37
RAD51 Q06609 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
SCHEMBL15256053 0.85 TOP1 (0.44) KCNH2TOP1PARP1TRPV1MAOB
SCHEMBL16948895 0.78 CYP1A2 (0.40) CYP1A2TOP1TRPV1
SCHEMBL16949227 0.77 RAB9A (0.49)
SCHEMBL16622239 0.77 MAOB (0.42) FEN1ALOX5APTOP1PARP1TRPV1
SCHEMBL15256043 0.75 TDP1 (0.47)
SCHEMBL16622246 0.75 RAB9A (0.43) CYP1A2TOP1
SCHEMBL16622233 0.75 RAB9A (0.43) CYP1A2TOP1
SCHEMBL15256079 0.74 TDP1 (0.46)
SCHEMBL4144452 0.72 KIF11 (0.42) TOP1
SCHEMBL16622248 0.71 L3MBTL1 (0.50)

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