SCHEMBL9401362

SCHEMBL9401362

COc1cc(OC)nc(SC(C=O)C(C)(C)c2ccc(C)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.41
EDNRA P25101 7/20 0.41
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9401457 0.89 EDNRB (0.42) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401218 0.89 L3MBTL1 (0.32) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9383894 0.88 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401426 0.86 EDNRB (0.44) EDNRBEDNRACYP1A2CYP3A4CYP2C9
SCHEMBL9401467 0.84 PTGES (0.37) PTGESALOX5ALDH1A1CYP2C19
SCHEMBL9401357 0.84 MEN1 (0.35) EDNRBEDNRACYP1A2
SCHEMBL9401470 0.84 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401401 0.84 EDNRB (0.32) EDNRBEDNRAALDH1A1
SCHEMBL9401302 0.84 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401404 0.81 NPC1 (0.34) EDNRBEDNRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed