SCHEMBL7683829

SCHEMBL7683829

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2ccno2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIRT1 Q96EB6 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 12/20 0.41
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 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
SCHEMBL7683405 0.91 KIF11 (0.38) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL7855705 0.88 SIRT1 (0.45) LMNAMAPTSIRT1KIF11TP53
SCHEMBL7680170 0.87 LMNA (0.52) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7693228 0.87 MEN1 (0.48) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7681633 0.87 MEN1 (0.48) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7680379 0.86 MAPT (0.51) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7683791 0.85 SIRT1 (0.56) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7677069 0.85 MEN1 (0.49) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7683286 0.85 DHODH (0.49) LMNAMAPTMEN1KMT2ASIRT1
SCHEMBL7684013 0.85 MAPT (0.51) LMNAMAPTMEN1KMT2ASIRT1

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