SCHEMBL30952915

SCHEMBL30952915

CC(C)(O)c1cc2cc3c(cc2cc1N)OCCO3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 7/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23625920 1.00 KDM4E (0.39) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL23626139 0.95 MAPT (0.41) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL30039556 0.95 MAPT (0.41) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL24823372 0.93 ALDH1A1 (0.34) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL23625928 0.89 ULK1 (0.35) MAPTL3MBTL1PGRMEN1KMT2A
SCHEMBL30952916 0.89 ULK1 (0.35) MAPTL3MBTL1PGRMEN1KMT2A
SCHEMBL24852676 0.87 ALDH1A1 (0.46) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL24824225 0.76 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL24852671 0.76 MEN1 (0.42) KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL24852950 0.74 PRKCI (0.40) KDM4EALDH1A1MAPTSMN1; SMN2PGR

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