SCHEMBL29958034

SCHEMBL29958034

CC(=O)Nc1ccc(C=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PABPC1 P11940 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
LDHA P00338 1/20 0.50
GLA P06280 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL377917 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29953794 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10061909 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13065355 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1527112 0.82 PKM (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4094352 0.82 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5577982 0.81 RORC (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7055271 0.81 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28004254 0.80 ITGB3 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28003899 0.80 ITGB3 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT

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