SCHEMBL28686352

SCHEMBL28686352

NC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
RAB9A P51151 1/20 0.68
LMNA P02545 4/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.51
HIF1A Q16665 8/20 0.48
EPAS1 Q99814 4/20 0.48
CASP2 P42575 1/20 0.47
GAA P10253 3/20 0.46
EPHX2 P34913 2/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL2721139 0.83 NPC1 (0.59) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL21628735 0.81 KMT2A (0.61) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL30475196 0.79 LMNA (0.58) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL11701921 0.79 MEN1 (0.74) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL16385101 0.78 LMNA (0.62) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL27845478 0.77 LMNA (0.61) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2763437 0.77 LMNA (0.77) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL12128714 0.76 MEN1 (0.52) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL12746127 0.76 NPC1 (0.52) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL1083023 0.76 MEN1 (0.76) MEN1KMT2ARAB9ALMNAALDH1A1

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
CN-113811300-A Novel small molecule inhibitors of TEAD transcription factor 总医院公司 2021-12-17 CN disclosed