SCHEMBL29952346

SCHEMBL29952346

[C-]#[N+]c1ccc(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A3 Q01959 3/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A2 P23975 1/20 0.30
KMO O15229 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL997705 1.00 RAPGEF4 (0.34) RAPGEF4ALDH1A1TDP1SLC6A3MAPT
SCHEMBL29957252 0.82 MEN1 (0.38) RAPGEF4ALDH1A1TDP1SLC6A3MAPT
SCHEMBL12446580 0.82 MEN1 (0.38) RAPGEF4ALDH1A1TDP1SLC6A3MAPT
SCHEMBL2922332 0.78 CES2 (0.36) TDP1LRRK2
SCHEMBL2916024 0.78 AHR (0.43) ALDH1A1TDP1MAPK1
SCHEMBL12204625 0.77 APP (0.35) RAPGEF4SLC6A3SLC6A4SLC6A2
SCHEMBL13053993 0.73 HSD17B10 (0.50) ALDH1A1TDP1MAPK1
SCHEMBL12446575 0.73 ESR1 (0.38)
SCHEMBL12619110 0.73
SCHEMBL29951899 0.73 HDAC1 (0.37) MAPTKMOLRRK2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed