SCHEMBL29220620

SCHEMBL29220620

CC(N[S@@+]([O-])C(C)(C)C)c1ccc(OC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 2/20 0.37
GFER P55789 1/20 0.37
ADAM17 P78536 1/20 0.37
PDE2A O00408 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GPR139 Q6DWJ6 4/20 0.35
ACACB O00763 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
DRD1 P21728 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
SCHEMBL24775053 1.00 KMT2A (0.42) KMT2AMEN1ALOX15GFERADAM17
SCHEMBL30108487 1.00 KMT2A (0.42) KMT2AMEN1ALOX15GFERADAM17
SCHEMBL29220619 1.00 KMT2A (0.42) KMT2AMEN1ALOX15GFERADAM17
SCHEMBL4934513 1.00 KMT2A (0.42) KMT2AMEN1ALOX15GFERADAM17
SCHEMBL955811 1.00 KMT2A (0.42) KMT2AMEN1ALOX15GFERADAM17
SCHEMBL21272682 0.83 KCNK2 (0.39) KMT2AMEN1LMNAHTTACACB
SCHEMBL21272686 0.83 KCNK2 (0.39) KMT2AMEN1LMNAHTTACACB
SCHEMBL21272680 0.83 KCNK2 (0.39) KMT2AMEN1LMNAHTTACACB
SCHEMBL28706193 0.83 KCNK2 (0.39) KMT2AMEN1LMNAHTTACACB
SCHEMBL28706192 0.83 KCNK2 (0.39) KMT2AMEN1LMNAHTTACACB

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
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed