SCHEMBL28724716

SCHEMBL28724716

CN(CC(=O)OC(=O)C(F)(F)F)C1CCOC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
PIK3CD O00329 2/20 0.31
MCHR1 Q99705 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL28724721 0.92 PIK3CD (0.39) TRPV1TDP1L3MBTL1LMNAPIK3CD
SCHEMBL28724719 0.88 TDP1 (0.32) TDP1L3MBTL1
Trifluoroacetic Acid SCHEMBL28724718 0.78 HDAC1 (0.36) TRPV1LMNAPIK3CDMCHR1MEN1
SCHEMBL28724715 0.78 PIK3CD (0.33) LMNAPIK3CDMEN1NPC1RAB9A
SCHEMBL12226512 0.74 PIK3CD (0.41) TRPV1LMNAPIK3CDMEN1NPC1
SCHEMBL12226514 0.74 PIK3CD (0.41) TRPV1LMNAPIK3CDMEN1NPC1
SCHEMBL28724725 0.74 HDAC1 (0.40) TDP1LMNAPIK3CDMEN1NPC1
SCHEMBL18953993 0.69 CHRM2 (0.30)
SCHEMBL13209129 0.69 PIK3CD (0.46) TDP1L3MBTL1PIK3CDMEN1KMT2A
SCHEMBL28724713 0.69 PIK3CD (0.42) TDP1L3MBTL1PIK3CDPOLB

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
CN-114349748-A Indazole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2022-04-15 CN disclosed