SCHEMBL28947710

SCHEMBL28947710

CC1(C)C(=O)N(CC(F)(F)F)c2c(Br)cccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ELANE P08246 1/20 0.34
SLC6A2 P23975 4/20 0.34
CRHR1 P34998 2/20 0.33
CRHR2 Q13324 2/20 0.33
SLC6A4 P31645 3/20 0.33
PDE7A Q13946 2/20 0.32
TP53 P04637 2/20 0.32
PGR P06401 4/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23994439 0.76 TP53 (0.48) MAPTELANESLC6A2CRHR1SLC6A4
SCHEMBL836635 0.73 PGR (0.36) MAPTSLC6A2PDE7ATP53PGR
SCHEMBL30224652 0.71 BACE1 (0.38) MAPTELANETP53PGRBACE1
SCHEMBL23992898 0.71 BACE1 (0.38) MAPTELANETP53PGRBACE1
SCHEMBL28321469 0.68 ALDH1A1 (0.41) ALDH1A1
SCHEMBL31241690 0.66 BCHE (0.39) MEN1KMT2A
SCHEMBL30418651 0.66 BCHE (0.39) MEN1KMT2A
SCHEMBL23994742 0.66 KMT2A (0.35) SLC6A2PDE7ACTSDBACE1KMT2A
SCHEMBL13341336 0.65 BACE1 (0.32) CTSDBACE1
SCHEMBL23992901 0.64 RXRA (0.34) MAPTTP53PGRLMNA

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-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 CN disclosed