SCHEMBL29951745

SCHEMBL29951745

CCc1[nH]c2ccccc2c1C=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.59
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
KIF11 P52732 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CYP2A6 P11509 1/20 0.42
HPGD P15428 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

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
SCHEMBL1249895 1.00 AHR (0.59) AHRMEN1MAPTKMT2AHTT
SCHEMBL16572864 0.84 KIF11 (0.43) AHRMEN1MAPTKMT2AHTT
SCHEMBL29951170 0.82 AHR (0.59) AHRMEN1MAPTKMT2AKIF11
SCHEMBL9274962 0.82 AHR (0.59) AHRMEN1MAPTKMT2AHTT
SCHEMBL9613106 0.81 KIF11 (0.41) AHRMEN1MAPTKMT2AHTT
SCHEMBL6592979 0.81 AHR (0.66) AHRMEN1MAPTKMT2AKIF11
SCHEMBL24031443 0.79 KIF11 (0.40) AHRMEN1MAPTKMT2AHTT
SCHEMBL28235853 0.79 AHR (0.56) AHRMEN1MAPTKMT2AHTT
SCHEMBL28137898 0.79 AHR (0.56) AHRMEN1MAPTKMT2AHTT
SCHEMBL28137902 0.79 AHR (0.56) AHRMEN1MAPTKMT2AHTT

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