SCHEMBL4543752

SCHEMBL4543752

CC(NCc1ccc(Cl)c(NC(=O)c2ccc(NCCN(C)C)nc2)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.42
NOX1 Q9Y5S8 2/20 0.41
IKBKB O14920 1/20 0.40
F10 P00742 3/20 0.40
KLKB1 P03952 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR3 Q99500 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
P4HTM Q9NXG6 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
SCHEMBL3959584 1.00 HDAC1 (0.42) HDAC1NOX1IKBKBF10KLKB1
SCHEMBL4543923 0.90 HDAC1 (0.50) HDAC1NOX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4996420 0.90 HDAC1 (0.50) HDAC1NOX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3960551 0.89 HDAC1 (0.49) HDAC1NOX1HPGDALDH1A1SMN1; SMN2
SCHEMBL3962631 0.87 HDAC1 (0.47) HDAC1NOX1F10KLKB1HPGD
SCHEMBL4543823 0.87 HDAC1 (0.47) HDAC1NOX1F10KLKB1HPGD
SCHEMBL4541195 0.85 HDAC1 (0.45) HDAC1NOX1HPGDALDH1A1SMN1; SMN2
SCHEMBL4999927 0.85 HDAC1 (0.45) HDAC1NOX1HPGDALDH1A1SMN1; SMN2
SCHEMBL5002929 0.84 HDAC1 (0.46) HDAC1S1PR2S1PR3HPGDALDH1A1
SCHEMBL5002927 0.84 HDAC1 (0.46) HDAC1S1PR2S1PR3HPGDALDH1A1

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-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed