SCHEMBL23401362

SCHEMBL23401362

CCc1cc(=O)n(-c2cccc(C)c2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 3/20 0.58
TSHR P16473 1/20 0.46
HSP90AA1 P07900 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 4/20 0.41
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
RAD51 Q06609 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
APLNR P35414 1/20 0.39

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
SCHEMBL5975036 0.88 ALKBH5 (0.56) ALKBH5TSHRHSP90AA1MGLLL3MBTL1
SCHEMBL23400370 0.85 ALKBH5 (0.53) ALKBH5TSHRHSP90AA1MGLLL3MBTL1
SCHEMBL23400638 0.84 ALKBH5 (0.55) ALKBH5TSHRHSP90AA1MGLLL3MBTL1
SCHEMBL486186 0.83 TSHR (0.61) ALKBH5TSHRL3MBTL1MAPTTDP1
SCHEMBL27895365 0.83 ALKBH5 (0.57) ALKBH5TSHRMGLLL3MBTL1MAPT
SCHEMBL11517193 0.82 MAPT (0.47) ALKBH5TSHRL3MBTL1MAPTTDP1
SCHEMBL5675303 0.80 ALKBH5 (0.65) ALKBH5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL13562672 0.77 ALKBH5 (0.60) ALKBH5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL23400182 0.75 ALKBH5 (0.58) ALKBH5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL23399559 0.75 ALKBH5 (0.58) ALKBH5HSP90AA1MGLLL3MBTL1MAPT

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