SCHEMBL9401459

SCHEMBL9401459

COc1cc(OC)nc(SC(CO)C(C)(C)c2cccc(Br)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
EDNRB P24530 5/20 0.33
EDNRA P25101 5/20 0.33

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
SCHEMBL9401433 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9401423 0.87 ALOX5 (0.32) ALDH1A1EDNRBEDNRA
SCHEMBL9401292 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401605 0.86 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401427 0.86 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401408 0.82 EDNRB (0.36) EDNRBEDNRA
SCHEMBL9401350 0.81 EDNRB (0.41) ALDH1A1EDNRBEDNRA
SCHEMBL9401569 0.80 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401378 0.80 EDNRB (0.34) RAB9AEDNRBEDNRA
SCHEMBL9401461 0.80 EDNRB (0.42) 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 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