SCHEMBL5574240

SCHEMBL5574240

CN(C)C(=O)Sc1ccc(CCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SLC6A4 P31645 2/20 0.32
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20244667 0.84 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1ACHERAB9A
SCHEMBL5575486 0.83 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1ACHERAB9A
SCHEMBL5571099 0.82 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1ACHERAB9A
SCHEMBL31260342 0.81 HRH3 (0.47) ALDH1A1RAB9AHTTPOLBMEN1
SCHEMBL2578840 0.81 ALDH1A1 (0.46) ALDH1A1ACHESMN1; SMN2KDM4E
SCHEMBL6541372 0.80 CA2 (0.47) ALDH1A1CA2MAPTHTTPOLB
SCHEMBL10187448 0.79 LMNA (0.49) ALDH1A1RAB9AMEN1KMT2ASLC6A4
SCHEMBL11226102 0.79 MAPT (0.54) ALDH1A1CA1CA2MAPTL3MBTL1
SCHEMBL20814566 0.78 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1ACHERAB9A
SCHEMBL6240950 0.77 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1ACHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070172600-A1 Molecular bonding method and molecular bonding device NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATION TECHNOLOGY INCORPORATED (JP) 2007-07-26 US disclosed
US-20070114400-A1 Probe NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED (JP) 2007-05-24 US disclosed
EP-1623953-A1 PROBE National Institute of Information and Communications Technology (JP) 2006-02-08 EP disclosed
EP-1621517-A1 METHOD OF BONDING MOLECULE AND MOLECULE BONDING APPARATUS National Institute of Information and Communications Technology (JP) 2006-02-01 EP disclosed