SCHEMBL20802418

SCHEMBL20802418

Cc1cn(C)c(=O)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.38
AR P10275 9/20 0.35
PGR P06401 4/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
RAD51 Q06609 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NOTUM Q6P988 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.33
XPO1 O14980 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL21955313 0.86 BRD4 (0.34) ALKBH5ARPGRATAD2HDAC6
SCHEMBL24018688 0.82 HDAC6 (0.33) ARPGRNR3C1NR3C2ATAD2
SCHEMBL15549616 0.78 ALKBH5 (0.37) ALKBH5ARPGRNR3C1NR3C2
SCHEMBL27304728 0.78 BAZ2B (0.39) ARHDAC6NOTUMRECQLBAZ2B
SCHEMBL17589209 0.75 BRD4 (0.35) ATAD2BAZ2BBAZ2ACREBBP
SCHEMBL13481160 0.75 ATAD2 (0.39) ATAD2BAZ2BBAZ2ACREBBP
SCHEMBL20906890 0.75 NOTUM (0.38) ARPGRNR3C1NR3C2ATAD2
SCHEMBL21475934 0.74 MAP2K2 (0.39) ATAD2BAZ2BBAZ2ACREBBP
SCHEMBL20605804 0.73 MAP2K2 (0.48) ALKBH5NOTUMRECQLBAZ2BBAZ2A
SCHEMBL20605182 0.72 MAP2K1 (0.48) RECQLBAZ2BBAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050016-A1 COMPOSITIONS AND METHODS FOR TARGETED INHIBITION AND DEGRADATION OF PROTEINS IN AN INSECT CELL OERTH BIO LLC (US) 2024-03-07 WO disclosed
EP-3423451-B1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING PROPELLON THERAPEUTICS INC (CA) 2022-08-17 EP disclosed
WO-2019046944-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-03-14 WO disclosed