SCHEMBL11301243

SCHEMBL11301243

CCCCCCCCCCCCCCCCCC[S+](CCCC)c1ccccc1.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HTT P42858 2/20 0.33
KCNH2 Q12809 1/20 0.33
NAAA Q02083 1/20 0.33
MGLL Q99685 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
SCHEMBL3199450 0.91 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL3211097 0.91 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL3201160 0.87 LTA4H (0.38) DNM1TP53SMN1; SMN2TSHRCES2
SCHEMBL11340973 0.84 MGLL (0.36) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11310581 0.84 MGLL (0.36) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11312789 0.84 MGLL (0.36) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11309699 0.84 MGLL (0.36) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL9188295 0.83 DNM1 (0.38) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL5074633 0.82 DNM1 (0.35) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11305722 0.82 DNM1 (0.35) DNM1MEN1KMT2ATP53MAPK1

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
US-4287355-A USED TO RETARD PASSAGE OF GLUCOSE INTO THE BLOOD SANDOZ, INC. (US) 1981-09-01 US disclosed