SCHEMBL6580558

SCHEMBL6580558

COc1ccc(CSc2ncn(Cc3cc4c(cc3Cl)OCO4)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.42
EDNRA P25101 3/20 0.42
EDNRB P24530 3/20 0.42
LMNA P02545 1/20 0.42
BRS3 P32247 1/20 0.41
SLC29A1 Q99808 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.40
CSNK1E P49674 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL8325612 0.92 LMNA (0.43) SLC22A12LMNABRS3SLC29A1SMN1; SMN2
SCHEMBL8792168 0.91 EDNRA (0.41) EDNRAEDNRBLMNABRS3SLC29A1
SCHEMBL6580573 0.85 BRS3 (0.42) SLC22A12LMNABRS3SLC29A1SMN1; SMN2
SCHEMBL7501396 0.84 EDNRA (0.45) EDNRAEDNRBLMNABRS3SMN1; SMN2
SCHEMBL8434873 0.84 EDNRA (0.45) SLC22A12EDNRAEDNRBBRS3SMN1; SMN2
SCHEMBL3839001 0.82 EDNRA (0.45) EDNRAEDNRBBRS3SMN1; SMN2AURKA
SCHEMBL8792176 0.82 EDNRB (0.39) EDNRAEDNRBLMNABRS3SMN1; SMN2
SCHEMBL6580208 0.81 EDNRB (0.45) EDNRAEDNRBBRS3
SCHEMBL7502700 0.80 EDNRA (0.43) EDNRAEDNRBBRS3SMN1; SMN2
SCHEMBL6580278 0.80 EDNRA (0.45) EDNRAEDNRBSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US claimed
EP-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP disclosed
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed