SCHEMBL9401440

SCHEMBL9401440

COc1cc(OC)nc(SC(C=O)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
SLC6A3 Q01959 1/20 0.39
EDNRB P24530 3/20 0.36
EDNRA P25101 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL9572237 0.87 EDNRB (0.36) PTGESALOX5EDNRBEDNRAPPARG
SCHEMBL9401347 0.86 MEN1 (0.39) SLC6A3KMT2A
SCHEMBL9401323 0.86 EDNRB (0.37) SLC6A3EDNRBEDNRA
SCHEMBL9401354 0.86 GAA (0.39) EDNRBEDNRA
SCHEMBL9401337 0.86 EDNRB (0.38) EDNRBEDNRAKMT2A
SCHEMBL9401376 0.86 L3MBTL1 (0.34) MAPT
SCHEMBL9401386 0.85 NPC1 (0.36) MAPT
SCHEMBL9401330 0.85 AOC3 (0.36)
SCHEMBL9401387 0.85 EDNRB (0.38) EDNRBEDNRA
SCHEMBL9401343 0.83 TP53 (0.33) 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