SCHEMBL8107583

SCHEMBL8107583

COC(=O)c1cccc(Cl)c1N=S(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
LMNA P02545 6/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL8105878 0.86 NR4A2 (0.44) NR4A2LMNATSHRKMT2AMAPT
SCHEMBL8113169 0.84 NR4A2 (0.41) NR4A2LMNATSHRPKMSLC6A4
SCHEMBL8107147 0.81 ALDH1A1 (0.43) LMNATSHRCYP1A2CYP2C19SLC6A4
SCHEMBL22056275 0.77 NR4A2 (0.44) NR4A2LMNATSHRPKMCYP1A2
SCHEMBL8097763 0.75 CYP1A2 (0.38) LMNATSHRCYP1A2KMT2AMAPT
SCHEMBL8132105 0.75 MAPT (0.47) NR4A2LMNATSHRPKMSLC6A4
SCHEMBL30363028 0.75 NR4A2 (0.59) NR4A2LMNATSHRPKMCYP1A2
SCHEMBL993113 0.74 TSHR (0.59) NR4A2LMNATSHRPKMCYP1A2
SCHEMBL196555 0.74 LMNA (0.61) NR4A2LMNATSHRSLC6A4SLC6A3
SCHEMBL30488606 0.74 LMNA (0.61) NR4A2LMNATSHRSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888297-B1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-08-30 EP claimed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US claimed
US-6114580-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2000-09-05 US disclosed
EP-0888297-B1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-08-30 EP disclosed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US disclosed