SCHEMBL21769895

SCHEMBL21769895

CN(C)C(c1ccc(Oc2ccc(C34CC5CC(C3)C(C5)C4)cc2)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP2 P42575 2/20 0.35
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
ESR1 P03372 1/20 0.32
NPC1 O15118 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
EPHX2 P34913 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
SCHEMBL21752971 0.94 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769975 0.91 CASP2 (0.36) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752970 0.84 CASP2 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21753070 0.79 LMNA (0.34) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769893 0.77 LMNA (0.33) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769894 0.75 MEN1 (0.31) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752924 0.75 MEN1 (0.44) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752969 0.74 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21756960 0.72 MEN1 (0.44) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769896 0.71 MEN1 (0.35) 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 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