SCHEMBL4607283

SCHEMBL4607283

NC(CCCSSCCCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
NPC1 O15118 2/20 0.46
LTA4H P09960 1/20 0.46
LMNA P02545 4/20 0.45
CHEK1 O14757 1/20 0.44

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
SCHEMBL8362464 0.86 LTA4H (0.56) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL7618233 0.85 LTA4H (0.61) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL30932805 0.85 MAPT (0.54) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL10945123 0.84 FNTA (0.53) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL12879475 0.84 FNTA (0.53) MEN1KMT2AMAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL30337968 0.83 MAPT (0.53) MEN1KMT2AMAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL4609415 0.83 FNTA (0.52) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL21753952 0.81 MEN1 (0.50) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL29395053 0.81 LTA4H (0.62) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL166772 0.81 MEN1 (0.50) MEN1KMT2AMAPTPOLBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed