SCHEMBL9401404

SCHEMBL9401404

COc1cc(OC)nc(SC(C=O)C(C)(C)c2cccc(Br)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

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 6/20 0.33
EDNRA P25101 6/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 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
SCHEMBL9401426 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9401218 0.87 L3MBTL1 (0.32) EDNRBEDNRA
SCHEMBL9383894 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401419 0.86 MAPT (0.35) NPC1EDNRBEDNRA
SCHEMBL9401297 0.86 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401288 0.86 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401357 0.82 MEN1 (0.35) EDNRBEDNRA
SCHEMBL9401362 0.81 EDNRB (0.41) ALDH1A1EDNRBEDNRA
SCHEMBL9401302 0.80 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401470 0.80 EDNRB (0.34) RAB9AEDNRBEDNRA

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