SCHEMBL7678943

SCHEMBL7678943

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2nc[nH]c2C)CCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SIRT1 Q96EB6 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KIF11 P52732 13/20 0.42
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL7852536 0.90 SIRT1 (0.46) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7693228 0.87 MEN1 (0.48) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7680379 0.86 MAPT (0.51) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7683312 0.86 MEN1 (0.46) MEN1KMT2ALMNAMAPTSIRT1
Hydrochloric Acid SCHEMBL7680915 0.86 MEN1 (0.46) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7683791 0.85 SIRT1 (0.56) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7681633 0.85 MEN1 (0.48) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7677069 0.85 MEN1 (0.49) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7683286 0.85 DHODH (0.49) MEN1KMT2ALMNAMAPTSIRT1
SCHEMBL7684013 0.85 MAPT (0.51) MEN1KMT2ALMNAMAPTSIRT1

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