SCHEMBL24724930

SCHEMBL24724930

CNC(F)(F)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
PTPN5 P54829 1/20 0.42
HTT P42858 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LMNA P02545 1/20 0.40
KIF11 P52732 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
KCNH2 Q12809 1/20 0.40
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL822098 0.79 ACHE (0.52) ACHEPTPN5HTTCYP3A4CYP2D6
SCHEMBL148048 0.79 NFE2L2 (0.55) ACHEPTPN5HTTMEN1RAB9A
SCHEMBL8242617 0.77 ACHE (0.50) ACHEPTPN5HTTCYP3A4CYP2D6
SCHEMBL18891585 0.77 ACHE (0.50) ACHEPTPN5HTTCYP3A4CYP2D6
Bromide SCHEMBL27462091 0.77 NFE2L2 (0.53) ACHEPTPN5HTTMEN1RAB9A
Ammonia Solution, Strong SCHEMBL1869257 0.77 NFE2L2 (0.53) ACHEPTPN5HTTMEN1RAB9A
SCHEMBL3879900 0.77 KCNN4 (0.56) CYP2D6LMNAKIF11KCNN4ALDH1A1
SCHEMBL27012754 0.76 ACHE (0.48) ACHEPTPN5HTTCYP3A4CYP2D6
SCHEMBL14463377 0.76 ACHE (0.48) ACHEPTPN5HTTCYP3A4CYP2D6
SCHEMBL3879898 0.76 ACHE (0.48) ACHEPTPN5HTTCYP3A4CYP2D6

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
WO-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-9610368-B2 Radiolabelled glutaminyl cyclase (QC) inhibitors and uses of same PROBIODRUG AG (DE) 2017-04-04 US disclosed