SCHEMBL8435635

SCHEMBL8435635

CCCCc1nc(SC=CC(=O)O)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.58
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37

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
SCHEMBL8435630 1.00 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434967 0.87 EDNRA (0.63) EDNRAAGTR1AGTR2
SCHEMBL8435201 0.85 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8521585 0.85 EDNRA (0.61) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8663465 0.82 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7494119 0.82 EDNRA (0.60) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434697 0.82 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7497895 0.82 EDNRA (0.73) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3837125 0.81 EDNRA (0.70) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501847 0.81 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1082961-C Novel use and noveld erivatives of imidazole, method for preparing same, novel intermediates thus obtained, medicinal applications of same and pharmaceutical compositions containing same ROUSSEL UCLAF (FR) 2002-04-17 CN disclosed
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
CN-1158613-A New use and new derivatives of imidazole, their preparation, new intermediates obtained, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-09-03 CN disclosed