SCHEMBL7498348

SCHEMBL7498348

CCCc1nc(C(=O)O)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.63
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8432727 0.90 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3839122 0.88 EDNRA (0.65) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8431142 0.87 EDNRA (0.61) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3837125 0.86 EDNRA (0.70) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7503964 0.86 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3838855 0.85 EDNRA (0.59) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8432726 0.84 EDNRA (0.54) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7504056 0.83 EDNRA (0.57) EDNRAAGTR1AGTR2
SCHEMBL8431330 0.82 EDNRA (0.56) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501847 0.82 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 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