SCHEMBL7501699

SCHEMBL7501699

CCC(C)OC(=O)c1ncn(Cc2cc3c(cc2Cl)OCO3)c1SCc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
BRS3 P32247 3/20 0.37
SLC22A12 Q96S37 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
AURKA O14965 1/20 0.36
CSNK1E P49674 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8664812 0.85 BRS3 (0.38) LMNAMAPK1BRS3SMN1; SMN2AURKA
SCHEMBL8325612 0.78 LMNA (0.43) LMNABRS3SLC22A12SMN1; SMN2AURKA
SCHEMBL6580558 0.77 SLC22A12 (0.42) LMNABRS3SLC22A12SMN1; SMN2AURKA
SCHEMBL7501841 0.74 SLC22A12 (0.38) LMNAMAPK1SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL6580573 0.74 BRS3 (0.42) LMNABRS3SLC22A12SMN1; SMN2AURKA
SCHEMBL7502700 0.71 EDNRA (0.43) BRS3SMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL7499419 0.71 EDNRA (0.45) BRS3SMN1; SMN2AURKACSNK1EGSK3A
SCHEMBL8432538 0.71 EDNRA (0.40) LMNABRS3MAPT
SCHEMBL8792168 0.71 EDNRA (0.41) LMNABRS3AURKACSNK1EGSK3A
SCHEMBL8434687 0.69 BRS3 (0.39) LMNABRS3SLC22A12MAPTALDH1A1

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-0776325-B1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-11-20 EP disclosed
WO-1996004276-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed