SCHEMBL21769893

SCHEMBL21769893

CC1CC2CC(C)CC(c3ccc(Oc4ccc(C(N(C)SC(C)(C)C)C(F)(F)F)cc4)cc3)(C1)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP2 P42575 2/20 0.31
ESR1 P03372 1/20 0.31
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
NCOA3 Q9Y6Q9 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 0.80 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769896 0.79 MEN1 (0.35) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752970 0.78 CASP2 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769895 0.77 LMNA (0.35) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21769975 0.75 CASP2 (0.36) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21753070 0.75 LMNA (0.34) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752924 0.69 MEN1 (0.44) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21752969 0.69 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL27845478 0.66 LMNA (0.61) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21756907 0.65 MEN1 (0.39) 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