SCHEMBL8853841

SCHEMBL8853841

CC1CC(=S)Nc2ccccc2S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
BRD4 O60885 1/20 0.66
CREBBP Q92793 1/20 0.66
ALDH1A1 P00352 8/20 0.54
ALOX12 P18054 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 5/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 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
SCHEMBL8853797 0.79 CREBBP (1.00) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL10932712 0.79 MEN1 (0.65) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL24214451 0.71 MEN1 (0.54) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL9629512 0.70 BRD4 (0.71) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL9629427 0.70 CREBBP (0.62) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL13729295 0.69 CREBBP (0.62) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL88687 0.68 ALDH1A1 (1.00) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL19470001 0.68 MEN1 (0.51) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL8267475 0.67 MEN1 (0.50) MEN1KMT2ABRD4CREBBPALDH1A1
SCHEMBL8284519 0.67 MEN1 (0.50) MEN1KMT2ABRD4CREBBPALDH1A1

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