SCHEMBL8815439

SCHEMBL8815439

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(SC)cc1Cc1cc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL8815449 0.86 TSHR (0.34) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL8817373 0.86 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL8818378 0.86 PTGDR2 (0.36) MEN1KMT2ALMNAMAPTHTT
SCHEMBL8492575 0.83 ALDH1A1 (0.39) PKMALDH1A1SLC26A6MEN1KMT2A
SCHEMBL8488359 0.82 ALDH1A1 (0.37) PKMALDH1A1TSHRKDM4ELMNA
SCHEMBL8492245 0.81 PKM (0.48) PKMALDH1A1MEN1KMT2ATSHR
SCHEMBL8817069 0.80 PKM (0.34) PKMALDH1A1TSHRRAB9A
SCHEMBL8815421 0.80 MEN1 (0.39) PKMALDH1A1MEN1KMT2AKDM4E
SCHEMBL8491581 0.79 NR1H4 (0.36) PKMALDH1A1MEN1KMT2ATSHR
SCHEMBL8890952 0.79 ALDH1A1 (0.33) PKMALDH1A1MEN1KMT2ATSHR

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
WO-1997027187-A1 ISOXAZOLE AND 2-CYANO-1,3-DIONES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-31 WO disclosed