SCHEMBL8943529

SCHEMBL8943529

COc1cc(OC)nc(SC(C(=O)O)C(C)(C)C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.37
EDNRA P25101 4/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL8943573 0.85 ALDH1A1 (0.38) EDNRBEDNRAALDH1A1KDM4EPTGES
SCHEMBL8943379 0.83 EDNRB (0.36) EDNRBEDNRAALDH1A1PTGESALOX5
SCHEMBL8537289 0.82 LMNA (0.35) ALDH1A1KDM4E
SCHEMBL9588704 0.82 EDNRB (0.41) EDNRBEDNRAALDH1A1KDM4E
SCHEMBL8943555 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9051577 0.80 EDNRB (0.40) EDNRBEDNRAALDH1A1KDM4E
SCHEMBL9148023 0.79 ALDH1A1 (0.32) ALDH1A1PTGESALOX5PPARG
SCHEMBL9051600 0.78 EDNRB (0.40) EDNRBEDNRAALDH1A1KDM4E
SCHEMBL8943549 0.78 EDNRB (0.35) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL8098308 0.77 EDNRB (0.50) EDNRBEDNRA

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-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
JP-5208962-A None JP disclosed
US-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed
US-5393758-A Bactericides, microbiocides LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-02-28 US disclosed
JP-H05208962-A 2-PYRIMIDINYLTHIOALKANOIC ACID DERIVATIVE, ITS PRODUCTION AND HERBICIDE UBE IND LTD 1993-08-20 JP 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