SCHEMBL30453039

SCHEMBL30453039

CC(C)(C)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
LCK P06239 1/20 0.58
CTSL P07711 1/20 0.58
PTPRC P08575 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
CTSS P25774 1/20 0.58
PTPN13 Q12923 1/20 0.58
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57

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
SCHEMBL9611269 1.00 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL8897654 0.96 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL7781162 0.88 RAB9A (0.57) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL19335548 0.84 L3MBTL1 (0.60) L3MBTL1MAPTMEN1KMT2AKDM4E
SCHEMBL14571969 0.84 RAB9A (0.61) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL12507949 0.83 MEN1 (0.56) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL6638890 0.83 LMNA (0.55) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL25898897 0.83 L3MBTL1 (0.58) L3MBTL1RAB9ANPC1MAPTMEN1
SCHEMBL5549552 0.82 HDAC1 (0.70) L3MBTL1RAB9ANPC1MAPTMEN1
Anthracene SCHEMBL29076817 0.81 MEN1 (0.67) L3MBTL1RAB9ANPC1MAPTMEN1

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-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 CN disclosed