SCHEMBL9116541

SCHEMBL9116541

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(F)c(OC)c1[S+]([O-])CC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 3/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL8592076 0.92 MEN1 (0.35) MEN1KMT2ANPC1ATML3MBTL1
SCHEMBL9116313 0.86 MEN1 (0.38) MEN1KMT2ANPC1ATML3MBTL1
SCHEMBL8589159 0.84 NR1H4 (0.33) LMNANR1H4
SCHEMBL8590976 0.82 MEN1 (0.36) MEN1KMT2ANPC1ATML3MBTL1
SCHEMBL8591321 0.80 NR1H4 (0.32) NR1H4
SCHEMBL8490475 0.79 MEN1 (0.37) MEN1KMT2ANPC1ATML3MBTL1
SCHEMBL8490014 0.78 HTT (0.38) MEN1KMT2ANPC1ATML3MBTL1
SCHEMBL8490050 0.78 CNR2 (0.43) HTTNPSR1ALDH1A1
SCHEMBL9116715 0.77 HTT (0.41) MEN1KMT2ANPC1HTTNPSR1
SCHEMBL8494387 0.77 HSP90AA1 (0.34) MEN1KMT2AHTTTSHRHSP90AA1

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-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed