SCHEMBL30952916

SCHEMBL30952916

CC(C)(O)c1cc2cc3c(cc2cc1N)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
PGR P06401 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
GABRA1 P14867 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL23625928 1.00 ULK1 (0.35) ULK1MAPTKMT2AL3MBTL1MEN1
SCHEMBL23625920 0.89 KDM4E (0.39) MAPTKMT2AL3MBTL1MEN1PGR
SCHEMBL30952915 0.89 KDM4E (0.39) MAPTKMT2AL3MBTL1MEN1PGR
SCHEMBL24852671 0.87 MEN1 (0.42) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL24823372 0.86 ALDH1A1 (0.34) MAPTL3MBTL1PGRNPC1RAB9A
SCHEMBL30039556 0.85 MAPT (0.41) MAPTKMT2AL3MBTL1POLB
SCHEMBL23626139 0.85 MAPT (0.41) MAPTKMT2AL3MBTL1POLB
SCHEMBL30952889 0.76 RAB9A (0.37) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL23625903 0.76 RAB9A (0.37) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL24852676 0.76 ALDH1A1 (0.46) MAPTKMT2AL3MBTL1MEN1POLB

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-113767090-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-05-28 CN disclosed