SCHEMBL15567141

SCHEMBL15567141

O=CC(Br)c1ccccc1OCCOCCOCCF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
APP P05067 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CCNB2 O95067 1/20 0.33

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
SCHEMBL31371989 0.77 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTHPGDKMT2A
SCHEMBL2235033 0.77 KDM4E (0.49) ALDH1A1SMN1; SMN2HTTHPGDKMT2A
SCHEMBL11734033 0.75 CYSLTR2 (0.51) ALDH1A1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL19463206 0.74 CCNB2 (0.51) ALDH1A1SMN1; SMN2PTK2BLMNAKDM4E
SCHEMBL6618757 0.74 CCNB2 (0.51) ALDH1A1SMN1; SMN2PTK2BLMNAKDM4E
SCHEMBL15568624 0.72 TSHR (0.39) ALDH1A1SMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL169082 0.71 CA1 (0.46) ALDH1A1HTTKMT2AKDM4EPOLB
SCHEMBL5608059 0.69 KCNK3 (0.38) ALDH1A1KDM4EPOLBL3MBTL1CYP2D6
SCHEMBL7926214 0.69 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2HTTHPGDKMT2A
SCHEMBL7927335 0.69 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2HTTHPGDKMT2A

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-2885306-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-06-24 EP disclosed
WO-2014026881-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 WO disclosed