SCHEMBL21753065

SCHEMBL21753065

CC(C)(C)[S+]([O-])NC(c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
MDH1 P40925 1/20 0.33
MDH2 P40926 1/20 0.33
NPC1 O15118 1/20 0.33
CASP2 P42575 2/20 0.33
HTT P42858 2/20 0.32
RAD52 P43351 2/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 2/20 0.32
GAA P10253 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
HIF1A Q16665 3/20 0.31
EPAS1 Q99814 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21769894 0.95 MEN1 (0.31) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752969 0.83 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21753070 0.77 LMNA (0.34) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752924 0.74 MEN1 (0.44) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752975 0.73 NPC1 (0.37) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL25421880 0.73 PDE2A (0.39) ALDH1A1L3MBTL1MAPTEPHX2
SCHEMBL31529511 0.73 PDE2A (0.39) ALDH1A1L3MBTL1MAPTEPHX2
SCHEMBL29248358 0.73 PDE2A (0.39) ALDH1A1L3MBTL1MAPTEPHX2
SCHEMBL21752971 0.73 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31529514 0.72 PDE2A (0.36) LMNAMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840834-A2 AROMATIC MOLECULES FOR USE IN THE TREATMENT OF PATHOLOGICAL CONDITIONS Xeniopro GmbH (DE) 2021-06-30 EP disclosed
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed