SCHEMBL7683791

SCHEMBL7683791

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(C)=O)CCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
KIF11 P52732 12/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL7680379 0.91 MAPT (0.51) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7677069 0.89 MEN1 (0.49) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7681030 0.89 MAPKAPK2 (0.52) SIRT1KMT2AMAPTKIF11TP53
Hydrochloric Acid SCHEMBL7675423 0.88 MEN1 (0.54) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7693228 0.88 MEN1 (0.48) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7681633 0.88 MEN1 (0.48) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7677047 0.87 MEN1 (0.55) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7680030 0.87 SIRT1 (0.62) SIRT1LMNAKIF11TP53ALOX15
SCHEMBL7680371 0.87 KMT2A (0.47) SIRT1MEN1KMT2ALMNAMAPT
SCHEMBL7677783 0.87 ABCG2 (0.52) SIRT1MEN1KMT2ALMNAMAPT

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-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed