SCHEMBL21769894

SCHEMBL21769894

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MDH1 P40925 1/20 0.30
MDH2 P40926 1/20 0.30
RAB9A P51151 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
SCHEMBL21753065 0.95 LMNA (0.35) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL21752969 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL21769895 0.75 LMNA (0.35) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL21769975 0.73 CASP2 (0.36) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL21753070 0.73 LMNA (0.34) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL25421880 0.71 PDE2A (0.39) ALDH1A1L3MBTL1
SCHEMBL31529511 0.71 PDE2A (0.39) ALDH1A1L3MBTL1
SCHEMBL29248358 0.71 PDE2A (0.39) ALDH1A1L3MBTL1
SCHEMBL31529514 0.70 PDE2A (0.36) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL30438580 0.70 PDE2A (0.36) MEN1KMT2AALDH1A1LMNAL3MBTL1

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-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed