SCHEMBL7501847

SCHEMBL7501847

CCCCc1nc(S)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
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3839122 0.94 EDNRA (0.65) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8432501 0.88 EDNRA (0.49) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8434967 0.86 EDNRA (0.63) EDNRAAGTR1AGTR2
SCHEMBL8435201 0.84 EDNRA (0.63) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8521585 0.84 EDNRA (0.61) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL7497895 0.82 EDNRA (0.73) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL7498348 0.82 EDNRA (0.63) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8052641 0.82 EDNRA (0.54) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8434697 0.81 EDNRA (0.58) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8435630 0.81 EDNRA (0.58) EDNRAAGTR1AGTR2KDM4EALDH1A1

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 3 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
EP-0776325-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) 1997-06-04 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