SCHEMBL9401185

SCHEMBL9401185

COc1cc(OC)nc(SC(C=O)C(C)C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 4/20 0.32
PPARG P37231 3/20 0.32
PTGES O14684 2/20 0.31
PTGS2 P35354 1/20 0.31
PSEN1 P49768 1/20 0.31
ALDH1A1 P00352 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL9401456 0.96 ALOX5 (0.33) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401557 0.95 ALDH1A1 (0.34) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9383520 0.82 LMNA (0.37) LMNASMN1; SMN2ALDH1A1
SCHEMBL9401395 0.81 LMNA (0.34) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401260 0.79 ALOX5 (0.34) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9384072 0.78 ALDH1A1 (0.36) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9388328 0.77 ALDH1A1 (0.35) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401239 0.76 LMNA (0.33) LMNASMN1; SMN2ALOX5PPARGPTGES
SCHEMBL9401299 0.76 LMNA (0.39) LMNASMN1; SMN2ALDH1A1
SCHEMBL9401394 0.75 ALDH1A1 (0.35) LMNASMN1; SMN2ALOX5PPARGPTGES

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