SCHEMBL9401516

SCHEMBL9401516

COc1cc(OC)nc(SC(C=O)Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9401344 0.86 CTSA (0.34) ALDH1A1
SCHEMBL9401540 0.85 PTGES (0.33)
SCHEMBL9401522 0.81 EDNRB (0.36) NPSR1MAPTL3MBTL1
SCHEMBL9384583 0.81 PTGES (0.42)
SCHEMBL9401349 0.79 KCNJ5 (0.37) NPSR1ALDH1A1PLA2G1BPOLBMAPT
SCHEMBL9401493 0.78 CTSA (0.36) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9401327 0.77 ALOX5 (0.43) L3MBTL1
SCHEMBL9383531 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL9401365 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL9401279 0.74 NPSR1 (0.37) NPSR1SMN1; SMN2

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