SCHEMBL9846346

SCHEMBL9846346

CO/C=C(/C(=O)O)c1ccccc1CSC(=O)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 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
SCHEMBL9846351 1.00 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1PKMMEN1
SCHEMBL9846352 0.85 CYP1A2 (0.39) ALDH1A1MEN1KMT2APTGDR2HTT
SCHEMBL9846354 0.85 CYP1A2 (0.39) ALDH1A1MEN1KMT2APTGDR2HTT
SCHEMBL9846356 0.82 ALDH1A1 (0.35) ALDH1A1GAAL3MBTL1PTGDR2CYP2C9
SCHEMBL9846353 0.82 ALDH1A1 (0.35) ALDH1A1GAAL3MBTL1PTGDR2CYP2C9
SCHEMBL8977645 0.80 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1PKMMEN1
SCHEMBL8977652 0.80 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1PKMMEN1
SCHEMBL9846362 0.80 CYP1A2 (0.51) ALDH1A1L3MBTL1PPARGNPC1RAB9A
SCHEMBL9846415 0.80 NPC1 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9846361 0.80 CYP1A2 (0.38) ALDH1A1GAAMEN1KMT2APTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416746-A2 Fungicides containing an alkoxycarbonylvinyl group or an alkyloxyimino group AGREVO UK LIMITED (GB) 1991-03-13 EP disclosed