SCHEMBL21752969

SCHEMBL21752969

CN[C@@H](c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPC1 O15118 1/20 0.38
EPHX2 P34913 3/20 0.37
CASP2 P42575 2/20 0.37
HTT P42858 2/20 0.36
RAD52 P43351 2/20 0.36
GAA P10253 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 1/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33

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 0.83 LMNA (0.35) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21752924 0.80 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL10279764 0.80 CTSL (0.41) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL21752971 0.80 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21769894 0.78 MEN1 (0.31) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21752970 0.78 CASP2 (0.40) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL27845478 0.77 LMNA (0.61) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21769895 0.74 LMNA (0.35) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21769896 0.74 MEN1 (0.35) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL12197655 0.73 PTPN1 (0.38) ALDH1A1MAPTGAA

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