SCHEMBL19490484

SCHEMBL19490484

CC(C)CC(C)(C)/N=C/c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 3/20 0.34
G6PC1 P35575 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
GAA P10253 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
SCHEMBL19676040 0.77 LMNA (0.43) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL10613679 0.77 GAA (0.50) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL10613674 0.77 GAA (0.50) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL16471892 0.75 NR4A1 (0.45) LMNAL3MBTL1ALDH1A1G6PC1MEN1
SCHEMBL631266 0.74 L3MBTL1 (0.40) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL631267 0.74 L3MBTL1 (0.40) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL19676090 0.74 LMNA (0.40) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL4024136 0.73 LMNA (0.52) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL12593473 0.73 LMNA (0.52) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL3258201 0.73 LMNA (0.52) LMNAL3MBTL1ALDH1A1CYP3A4CYP2C9

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
US-9796753-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2017-10-24 US disclosed