SCHEMBL7679575

SCHEMBL7679575

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2cccnc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
SIRT1 Q96EB6 1/20 0.42
KIF11 P52732 9/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 1/20 0.40
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7681633 0.91 MEN1 (0.48) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7677069 0.91 MEN1 (0.49) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7680379 0.89 MAPT (0.51) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7684013 0.89 MAPT (0.51) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7855042 0.88 ABCG2 (0.45) MAPTLMNASIRT1KIF11TP53
SCHEMBL7693228 0.88 MEN1 (0.48) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7680225 0.88 MAPT (0.44) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7683312 0.86 MEN1 (0.46) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7683286 0.86 DHODH (0.49) MAPTMEN1KMT2ALMNASIRT1
SCHEMBL7677783 0.85 ABCG2 (0.52) MAPTMEN1KMT2ALMNASIRT1

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