SCHEMBL5575486

SCHEMBL5575486

CN(C)C(=O)Sc1ccc(CSc2cc(CCl)cc(SCc3ccc(SC(=O)N(C)C)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 1/20 0.33
DAO P14920 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ACHE P22303 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL5571099 0.99 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5574233 0.90 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14511526 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5574327 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5574926 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6031741 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6032571 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5574240 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5575437 0.81 CYP1A2 (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5574874 0.81 CYP1A2 (0.43) ALDH1A1MEN1KMT2AMAPTLMNA

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 7 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-20070172600-A1 Molecular bonding method and molecular bonding device NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATION TECHNOLOGY INCORPORATED (JP) 2007-07-26 US disclosed
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
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