SCHEMBL8538415

SCHEMBL8538415

COc1cc(OC)nc(SC(C(=O)NS(C)(=O)=O)C(C)(C)OC)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PPARA Q07869 2/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL9145496 0.89 LMNA (0.38) LMNASMN1; SMN2AKR1C3AKR1C2CYP1A2
SCHEMBL9208674 0.87 CYP1A2 (0.33) LMNASMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL9214341 0.85 CYP1A2 (0.32) LMNASMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL9217071 0.85 ADORA3 (0.36) LMNASMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL9122561 0.85 ALOX5 (0.32) CYP1A2GAA
SCHEMBL8537289 0.85 LMNA (0.35) LMNASMN1; SMN2AKR1C3AKR1C2CYP1A2
SCHEMBL9558483 0.84 AKR1C3 (0.38) LMNASMN1; SMN2AKR1C3AKR1C2ALDH1A1
SCHEMBL9208329 0.83 ADORA3 (0.35) CYP1A2ALDH1A1ADORA3
SCHEMBL9209462 0.82 ALDH1A1 (0.31) ALDH1A1ADORA3
SCHEMBL9214908 0.82 LGALS8 (0.36) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517215-B1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES (JP) 1998-09-02 EP claimed
US-5387575-A Pyrimidine derivatives, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1995-02-07 US claimed
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP claimed
EP-0517215-B1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES (JP) 1998-09-02 EP disclosed
US-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed
US-5387575-A Pyrimidine derivatives, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed