SCHEMBL28117960

SCHEMBL28117960

CC[CH]c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
AR P10275 10/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
APP P05067 2/20 0.36
MPL P40238 2/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNN4 O15554 1/20 0.34

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
SCHEMBL27642819 0.85 KIF11 (0.54) KIF11KCNH2
SCHEMBL10299815 0.80 KIF11 (0.58) KIF11ARAPPMPL
SCHEMBL67628 0.80 KIF11 (0.58) KIF11ARAPPMPL
SCHEMBL22925065 0.79 NPFFR1 (0.37) KIF11ARCTSSCTSKAPP
SCHEMBL16960400 0.77 NFE2L2 (0.52)
SCHEMBL29110066 0.77 APP (0.42) KIF11ARAPPMPL
SCHEMBL29110062 0.77 APP (0.42) KIF11ARAPPMPL
SCHEMBL13358948 0.76 NR3C2 (0.40) KIF11ARAPP
SCHEMBL398398 0.76 KIF11 (0.41) KIF11ARAPPMPLHTR2A
SCHEMBL21236969 0.76 NPFFR1 (0.40) KIF11ARAPPMPL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104169281-B The pyrroles's diformamide condensed and they are as the purposes of medicine 赛诺菲 2016-12-14 CN claimed
CN-104169281-B The pyrroles's diformamide condensed and they are as the purposes of medicine 赛诺菲 2016-12-14 CN disclosed