SCHEMBL23980507

SCHEMBL23980507

Cc1ccc(C#Cc2ccc3c(c2)C(=O)N(C)C3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.56
GRM5 P41594 9/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL15326995 0.93 ALDH1A1 (0.53) APPGRM5ALDH1A1MEN1MAPT
SCHEMBL83864 0.88 GRM5 (0.60) APPGRM5ALDH1A1MEN1MAPT
SCHEMBL21028319 0.84 ALDH1A1 (0.49) APPGRM5ALDH1A1MEN1MAPT
SCHEMBL2616778 0.81 APP (0.67) APPALDH1A1MEN1MAPTKMT2A
SCHEMBL9339024 0.79 GABRA1 (0.48) APPGRM5ALDH1A1MEN1MAPT
SCHEMBL9338342 0.78 ALDH1A1 (0.50) APPALDH1A1MEN1MAPTKMT2A
SCHEMBL20716046 0.78 ALDH1A1 (0.55) GRM5ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL22242553 0.76 GRM5 (0.54) APPGRM5
SCHEMBL84290 0.76 GRM5 (0.55) GRM5ALDH1A1MAPTHPGD
SCHEMBL25721559 0.75 PGR (0.44) APPALDH1A1MEN1KMT2AHSD17B10

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-20210340327-A1 IMIDE OLIGOMER, VARNISH, CURED PRODUCTS THEREOF, AND PREPREG AND FIBER-REINFORCED COMPOSITE MATERIAL USING THESE KANEKA CORPORATION (JP) 2021-11-04 US disclosed