SCHEMBL28577924

SCHEMBL28577924

CC(C)(C)NC(=O)c1ccccc1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP2D6 P10635 1/20 0.43
SYK P43405 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13669850 0.87 MAPT (0.51) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3065368 0.84 KMT2A (0.49) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL26200366 0.84 MAPT (0.49) HPGDL3MBTL1MAPTKMT2AMEN1
SCHEMBL8174111 0.83 HPGD (0.53) LMNAGAAHPGDL3MBTL1KMT2A
SCHEMBL6748722 0.82 MAPT (0.61) LMNAGAAHPGDL3MBTL1MAPT
SCHEMBL11545937 0.81 CAPN1 (0.52) LMNAGAAHPGDL3MBTL1MAPT
SCHEMBL13670100 0.81 KMT2A (0.50) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL11544239 0.80 HPGD (0.50) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL6868432 0.79 HPGD (0.66) LMNAGAAHPGDL3MBTL1NPC1
SCHEMBL11542230 0.78 ALDH1A1 (0.49) LMNAHPGDMAPTKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620893-B Preparation method of letrozole 杭州中美华东制药有限公司 2023-10-03 CN disclosed
CN-113620893-A Preparation method of letrozole 杭州中美华东制药有限公司 2021-11-09 CN disclosed
CN-113072462-A Preparation method of letrozole key intermediate 杭州中美华东制药有限公司 2021-07-06 CN disclosed