SCHEMBL8853329

SCHEMBL8853329

CC(=O)N1C(=O)CCSc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.68
NOTUM Q6P988 2/20 0.56
NOX1 Q9Y5S8 1/20 0.56
THRB P10828 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B3 P37058 1/20 0.46
BCHE P06276 3/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL9629768 0.91 GSK3B (0.57) GSK3BNOTUMNOX1THRBMEN1
SCHEMBL8853311 0.84 GSK3B (0.68) GSK3BNOTUMTHRBMEN1KMT2A
SCHEMBL8853230 0.83 NOTUM (0.55) GSK3BNOTUMNOX1THRBHSD17B3
SCHEMBL10353391 0.80 LMNA (0.57) GSK3BNOTUMTHRBMEN1KMT2A
SCHEMBL19918200 0.78 THRB (0.64) GSK3BNOTUMTHRBMEN1KMT2A
SCHEMBL8853356 0.77 GSK3B (0.54) GSK3BNOTUMTHRBMEN1KMT2A
SCHEMBL9628891 0.74 GSK3B (0.54) GSK3BNOTUMTHRBMEN1KMT2A
SCHEMBL6199079 0.73 NOTUM (0.72) NOTUMMEN1KMT2AHSD17B3SMN1; SMN2
SCHEMBL8853292 0.73 GSK3B (0.73) GSK3BNOTUMNOX1MEN1KMT2A
SCHEMBL30808635 0.73 MEN1 (0.62) GSK3BTHRBMEN1KMT2ATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657407-B1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1997-12-10 EP disclosed
US-5475164-A Process for preparing 3-fluoro-4,6-dichlorotoluene BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0657407-A1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1995-06-14 EP disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 EP disclosed