SCHEMBL8105878

SCHEMBL8105878

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
MYC P01106 1/20 0.41
MAPT P10636 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
PTK2B Q14289 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8107583 0.86 NR4A2 (0.46) NR4A2TSHRLMNAALDH1A1CFTR
SCHEMBL8107147 0.83 ALDH1A1 (0.43) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL16070271 0.81 NR4A2 (0.47) NR4A2TSHRLMNAALDH1A1CFTR
SCHEMBL10362667 0.77 NR4A2 (0.44) NR4A2TSHRLMNAALDH1A1CFTR
SCHEMBL8097827 0.75 LMNA (0.52) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL524457 0.73 LMNA (0.53) NR4A2TSHRLMNAALDH1A1CFTR
SCHEMBL101601 0.73 TSHR (0.63) NR4A2TSHRLMNAALDH1A1CFTR
SCHEMBL29702037 0.73 TSHR (0.63) NR4A2TSHRLMNAALDH1A1CFTR
Dimethyl Phthalate SCHEMBL28079217 0.73 TSHR (0.63) NR4A2TSHRLMNAALDH1A1CFTR
SCHEMBL28473965 0.73 NR4A2 (0.49) NR4A2TSHRLMNAALDH1A1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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