SCHEMBL29952372

SCHEMBL29952372

CC(C)(C)c1[nH]c2ccccc2c1C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
AHR P35869 4/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
KIF11 P52732 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GPR3 P46089 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSK3B P49841 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL29363233 0.82 KDM4E (0.45) HPGDAHRMEN1MAPTKMT2A
SCHEMBL10493559 0.82 KDM4E (0.45) HPGDAHRMEN1MAPTKMT2A
SCHEMBL29951382 0.80 HPGD (0.43) HPGDCHRNB2CHRNA7CHRNA4KIF11
SCHEMBL29956720 0.78 KIF11 (0.50) HPGDMEN1KMT2AKIF11
SCHEMBL29951788 0.77 HPGD (0.44) HPGDCHRNB2CHRNA7CHRNA4MAPT
SCHEMBL29951414 0.77 MEN1 (0.44) HPGDMEN1KMT2AKIF11GAA
SCHEMBL14519076 0.77 GSK3B (0.53) HPGDAHRMEN1MAPTKMT2A
SCHEMBL31377086 0.76 HPGD (0.56) HPGDCHRNB2CHRNA7CHRNA4AHR
SCHEMBL248974 0.76 HPGD (0.61) HPGDAHRMEN1MAPTKMT2A
SCHEMBL29378092 0.76 HPGD (0.61) HPGDAHRMEN1MAPTKMT2A

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