SCHEMBL9401348

SCHEMBL9401348

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 9/20 0.34
PPARG P37231 7/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGES O14684 5/20 0.33
PSEN1 P49768 2/20 0.32
PTGS2 P35354 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
SCHEMBL9388882 0.87 ADORA3 (0.37) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401365 0.85 ALDH1A1 (0.35) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401358 0.85 ALOX5 (0.39) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401267 0.84 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9383531 0.83 ALDH1A1 (0.37) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401256 0.83 ALOX5 (0.41) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401397 0.82 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401453 0.82 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401311 0.82 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401441 0.82 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2

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