SCHEMBL5163955

SCHEMBL5163955

CCCC[Si](Oc1cc(OC)cc(-c2cccc(C(=O)C(=O)c3cscn3)c2)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK14 Q16539 1/20 0.34
GPR142 Q7Z601 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
LTB4R Q15722 1/20 0.33
AURKA O14965 1/20 0.33
PTPN11 Q06124 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 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
SCHEMBL4519385 0.83 STIM1 (0.35) HPGDALDH1A1MAPK14GPR142KDM4E
SCHEMBL4513574 0.71 KDM4E (0.43) HPGDALDH1A1KDM4ESMN1; SMN2STIM1
SCHEMBL4528787 0.66 AURKA (0.39) ALDH1A1STIM1ORAI1AURKACES2
SCHEMBL4524021 0.66 KMT2A (0.39) HPGDALDH1A1STIM1ORAI1LTB4R
SCHEMBL16109132 0.65 CES2 (0.71) HPGDALDH1A1SMN1; SMN2CES2CES1
SCHEMBL13256843 0.64 PARP1 (0.45) HPGDALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL4521014 0.64 ABCB1 (0.38) HPGDALDH1A1STIM1ORAI1CES2
SCHEMBL4179829 0.63 RXRA (0.67) SMN1; SMN2STIM1ORAI1LMNA
SCHEMBL4174579 0.63 CYP1A1 (0.54) HPGDLMNATSHR
SCHEMBL8440880 0.62 CYP1A1 (0.61) SMN1; SMN2

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-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP disclosed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO disclosed