SCHEMBL23398602

SCHEMBL23398602

CCc1c[nH]n(-c2cccc(C)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MGLL Q99685 1/20 0.44
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ALOX5 P09917 3/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL23400448 0.90 ALKBH5 (0.42) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL23399269 0.87 ALKBH5 (0.40) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL23399091 0.85 ALKBH5 (0.41) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL23402277 0.82 L3MBTL1 (0.50) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL23400948 0.82 MAPT (0.55) MAPTL3MBTL1ALDH1A1MPINPC1
SCHEMBL23400864 0.80 ALDH1A1 (0.57) MGLLMAPTALOX5HSD17B10ALDH1A1
SCHEMBL23400845 0.80 ALKBH5 (0.43) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL23400468 0.77 KMT2A (0.61) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL23402514 0.77 ALKBH5 (0.43) ALKBH5HSP90AA1MGLLMAPTL3MBTL1
SCHEMBL25077800 0.74 ADRB1 (0.46) ALKBH5HSP90AA1MGLLMAPTL3MBTL1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed